data_1uhp_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 1uhp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.458 ' C ' ' CD1' ' A' ' 10' ' ' LEU . 84.1 p -117.85 125.98 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -119.4 156.94 29.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -108.82 141.2 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.431 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.413 ' CD2' HG23 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.7 135.73 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.1 117.12 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 33.5 mt -107.99 154.68 21.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.585 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.95 31.4 4.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -172.71 179.32 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -133.8 157.99 44.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.491 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.4 pt -124.69 160.17 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.495 ' CG2' ' CB ' ' A' ' 46' ' ' SER . 2.6 pt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.6 mm -113.29 119.78 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 42.8 m-85 -131.73 162.97 29.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 63' ' ' HIS . 88.9 t -100.06 120.64 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.495 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 17.6 t -107.97 -18.77 13.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.433 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -142.76 157.56 44.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.482 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 14.2 mt -153.21 121.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -76.27 118.3 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.6 -62.23 2.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -17.43 8.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.031 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.04 156.18 52.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.38 12.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.415 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -85.26 -34.63 21.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.482 ' HB1' ' CG2' ' A' ' 48' ' ' ILE . . . -92.12 -28.79 16.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -64.78 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 58' ' ' GLY . 8.3 pt-20 -102.41 -20.56 14.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -33.53 -59.12 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.15 -12.75 63.67 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CD1' HG11 ' A' ' 97' ' ' VAL . 4.4 tp -49.78 174.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -152.64 118.76 5.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.589 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.7 mm -40.1 137.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.589 ' CD2' HG22 ' A' ' 62' ' ' ILE . 53.7 m-70 67.15 53.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.66 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -128.46 133.56 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.557 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.5 ttt180 -86.88 116.95 25.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.405 HG21 HG11 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -72.49 132.86 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 98' ' ' LEU . 2.0 mm -99.88 -50.75 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.88 154.43 42.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.585 HG23 ' CE1' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.48 116.33 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.429 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 2.2 t-20 59.32 16.38 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.99 -1.24 56.41 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.91 126.1 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.34 128.93 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.407 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 6.4 mt -133.07 10.43 4.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.442 ' OG ' ' NH2' ' A' ' 65' ' ' ARG . 11.8 t -55.92 -40.57 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.048 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -112.89 21.47 15.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -93.62 175.47 6.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.3 t -113.1 168.13 9.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.535 ' CE1' HG21 ' A' ' 83' ' ' VAL . 54.2 t-80 -49.66 -41.41 42.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -52.46 64.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.8 -51.74 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 25' ' ' ILE . . . -50.63 -51.37 49.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.535 HG21 ' CE1' ' A' ' 79' ' ' HIS . 40.2 t -56.39 -55.66 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.37 -44.36 72.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.28 -55.6 29.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.585 ' CE1' HG23 ' A' ' 69' ' ' VAL . 27.2 m-85 -64.46 -25.71 68.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -76.13 -50.38 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.6 p -79.54 -5.21 54.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.27 150.89 48.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 30.2 mmtt -119.9 151.06 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -89.55 141.61 28.82 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.03 144.67 81.66 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.004 0.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.6 mt -96.34 111.29 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -83.81 110.32 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.481 HG12 ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.95 151.28 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -132.39 139.15 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 60' ' ' LEU . 13.9 m -125.71 164.52 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 67' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 p -127.02 115.99 20.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 mt -106.74 155.69 19.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -107.82 140.75 40.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.47 137.15 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 11.9 t -100.67 117.15 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.525 ' CD2' ' CA ' ' A' ' 58' ' ' GLY . 48.6 mt -110.13 154.53 23.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.59 28.69 5.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -170.48 -178.53 2.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 0.757 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -125.01 166.88 15.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.569 HD12 ' CD2' ' A' ' 79' ' ' HIS . 1.1 pt -135.3 150.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 46' ' ' SER . 1.1 pt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.4 mm -124.57 127.33 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 0.776 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.553 ' CE1' ' HG3' ' A' ' 65' ' ' ARG . 28.7 m-85 -137.14 160.7 38.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' HIS . 94.0 t -100.29 129.26 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.47 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 8.8 t -117.38 -38.46 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.52 135.56 55.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 14.4 mt -133.88 123.68 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.7 t -78.15 124.84 37.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -60.05 -76.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -27.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.2 155.16 6.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.3 Cg_endo -75.02 -2.52 12.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -83.53 -39.57 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.14 -41.47 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -51.15 -83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 58' ' ' GLY . 43.1 mt-10 -101.73 -28.07 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.525 ' CA ' ' CD2' ' A' ' 14' ' ' LEU . . . -33.53 -55.51 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' LEU . . . 95.37 -12.16 68.18 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 97' ' ' VAL . 6.2 tp -47.16 172.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -155.18 122.98 5.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.668 ' CG2' ' CD2' ' A' ' 63' ' ' HIS . 1.8 mt -41.64 144.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.668 ' CD2' ' CG2' ' A' ' 62' ' ' ILE . 9.1 m170 63.16 53.3 2.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -128.52 130.19 47.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.553 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 48.3 ttt180 -88.48 113.43 24.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 mt -65.74 141.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.475 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -109.75 -47.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -145.4 152.3 39.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.593 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.26 116.73 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 4.6 t-20 57.7 18.07 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.65 -2.78 55.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.03 124.73 40.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.19 131.08 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 14.7 mt -128.54 5.49 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.365 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 t -51.59 -40.56 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.958 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.77 21.71 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -96.28 168.31 10.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -105.07 172.12 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.569 ' CD2' HD12 ' A' ' 25' ' ' ILE . 58.4 t-80 -53.08 -44.13 67.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.94 -49.62 73.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -61.29 -56.59 18.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.19 -52.43 26.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.449 HG23 ' CE1' ' A' ' 79' ' ' HIS . 26.0 t -52.22 -55.69 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.93 -46.93 84.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.65 -53.55 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.593 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 21.2 m-85 -66.57 -25.6 66.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -76.35 -49.23 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.6 p -80.06 -9.62 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.85 147.55 46.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.3 mmmt -114.59 151.51 33.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -90.85 141.04 26.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.0 146.18 85.95 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.996 -0.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 18.4 mt -97.75 112.73 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' ASN . 45.5 t -83.55 110.54 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.48 HG13 ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.07 151.05 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 5.0 tt0 -133.85 145.05 49.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 60' ' ' LEU . 15.6 m -130.64 165.05 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 67' ' ' ILE . 11.9 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.424 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 88.7 p -126.23 122.02 34.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.06 148.3 39.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -102.18 140.8 35.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.65 135.28 34.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.66 117.64 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.545 ' CD2' ' CA ' ' A' ' 58' ' ' GLY . 31.5 mt -110.19 155.28 22.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.581 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.8 29.35 6.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.32 -174.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.76 162.47 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.418 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.5 pt -127.71 159.83 37.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' ' 46' ' ' SER . 3.4 pt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.6 mm -100.78 119.17 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 60.9 m-85 -137.59 158.06 45.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' HIS . 93.7 t -99.35 121.89 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.414 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 46.6 t -116.2 -1.81 12.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' O ' ' CG1' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -151.38 155.07 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 8.0 mt -155.61 141.72 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.0 t -93.52 127.26 45.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -68.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -14.91 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.82 156.41 43.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.4 Cg_endo -74.96 -2.02 11.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -83.55 -39.39 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.31 -51.33 5.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -41.54 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 58' ' ' GLY . 41.8 mt-10 -101.59 -30.72 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.341 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.545 ' CA ' ' CD2' ' A' ' 14' ' ' LEU . . . -32.29 -61.56 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.97 -12.43 60.7 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.474 ' CD1' HG13 ' A' ' 97' ' ' VAL . 7.7 tp -50.26 172.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -163.24 125.75 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.595 HG23 ' CD2' ' A' ' 63' ' ' HIS . 1.6 mt -39.53 156.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.595 ' CD2' HG23 ' A' ' 62' ' ' ILE . 7.2 m170 57.82 49.19 12.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 7.0 m-20 -131.75 132.44 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 25.4 ttt180 -95.37 118.55 32.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.97 137.85 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.481 HD12 ' CD1' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -105.7 -48.03 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -145.53 152.18 39.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.59 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.36 115.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 3.3 t-20 58.64 16.88 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.8 5.84 54.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.04 128.22 48.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.34 131.37 36.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.429 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 9.4 mt -130.47 7.28 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.9 p -61.07 -38.83 87.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -112.43 18.94 18.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -96.66 174.63 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 t -111.03 174.74 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.418 ' CD2' HG13 ' A' ' 25' ' ' ILE . 55.7 t-80 -57.07 -38.56 73.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -52.0 65.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.77 -47.91 73.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.68 -53.63 49.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.2 t -54.97 -55.57 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -50.91 -47.65 60.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.3 -53.01 49.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.59 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 23.2 m-85 -64.44 -25.84 68.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -76.73 -49.19 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 p -79.81 -3.27 47.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.16 150.47 43.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.9 mmmt -120.99 150.63 40.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.497 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 3.6 mp0 -87.18 142.02 33.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.99 144.06 79.77 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -0.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.8 mt -97.22 112.32 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.1 t -83.5 110.62 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -116.82 150.86 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 2.3 tt0 -133.7 142.98 48.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.474 HG13 ' CD1' ' A' ' 60' ' ' LEU . 26.0 m -127.52 165.43 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.481 ' CD1' HD12 ' A' ' 67' ' ' ILE . 10.3 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.7 p -118.46 120.96 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.04 156.94 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.36 140.53 44.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.4 135.03 29.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.28 117.46 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.57 ' CD2' ' CA ' ' A' ' 58' ' ' GLY . 52.5 mt -108.29 153.98 22.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HG ' ' CD1' ' A' ' 86' ' ' PHE . 4.6 mm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.07 30.58 4.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -173.46 -178.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 111.031 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.36 163.52 30.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.548 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.9 pt -128.19 160.76 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.432 ' CG2' ' CB ' ' A' ' 46' ' ' SER . 3.6 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.0 mm -92.64 130.58 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CE1' ' HG3' ' A' ' 65' ' ' ARG . 51.8 m-85 -145.57 154.67 42.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' HIS . 95.7 t -95.31 115.98 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.432 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 38.6 t -112.51 -8.56 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -143.38 146.08 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 55' ' ' ALA . 22.9 mt -151.3 126.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 93.9 t -81.56 133.65 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.12 -80.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.87 -27.34 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.14 153.49 3.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.572 1.17 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -2.07 12.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.16 -40.97 15.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . . . -91.25 -28.55 17.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -64.7 -82.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.4 mm-40 -101.45 -26.06 13.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.57 ' CA ' ' CD2' ' A' ' 14' ' ' LEU . . . -35.25 -59.67 0.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.92 4.47 60.2 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 97' ' ' VAL . 8.2 tp -65.05 172.35 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -155.44 125.45 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.545 HG23 ' CG ' ' A' ' 63' ' ' HIS . 4.0 mt -45.38 152.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.545 ' CG ' HG23 ' A' ' 62' ' ' ILE . 39.8 m-70 62.36 45.89 6.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 30.5 m-20 -126.08 138.13 53.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.548 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 18.2 ttt180 -99.37 114.07 26.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.88 140.79 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.488 ' CD1' ' HG ' ' A' ' 98' ' ' LEU . 1.3 mm -108.31 -48.26 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.34 152.37 39.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.616 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -139.82 116.22 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 3.2 t-20 58.15 17.32 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.12 -0.85 56.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.04 126.55 38.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.15 124.23 29.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 10.9 mt -125.35 4.22 7.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 p -52.0 -39.28 59.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -112.5 21.6 15.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -96.94 166.79 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 79' ' ' HIS . 8.7 t -99.93 -174.37 2.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.548 ' CD2' HG13 ' A' ' 25' ' ' ILE . 39.2 t-80 -65.58 -43.24 90.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -48.98 79.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -62.76 -54.38 40.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.38 -54.57 25.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.1 t -52.4 -55.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.23 -46.02 65.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.45 -51.54 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.616 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 22.7 m-85 -67.62 -25.97 66.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -76.79 -38.85 53.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.2 p -93.41 3.12 56.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.62 145.85 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.5 mmmt -110.8 152.92 26.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.2 OUTLIER -93.79 141.36 23.67 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -75.01 142.6 75.25 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.03 -2.487 . . . . 0.0 111.004 0.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 12.2 mt -93.79 113.35 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.0 t -84.94 111.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.478 ' CG1' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -116.2 151.14 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.5 tt0 -134.83 141.05 46.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 60' ' ' LEU . 4.9 m -128.19 164.59 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.488 ' HG ' ' CD1' ' A' ' 67' ' ' ILE . 11.1 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mptt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.423 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 64.2 p -131.37 117.58 19.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.413 ' N ' HE21 ' A' ' 96' ' ' GLN . 4.9 mt -111.3 153.61 25.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -106.27 141.17 38.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.74 133.93 32.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -101.22 116.41 44.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 12.6 mt -109.08 154.66 21.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.578 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.99 29.11 5.34 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.501 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -175.42 179.27 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.982 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -132.58 166.71 21.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 pt -133.14 162.82 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.447 ' CG2' ' CB ' ' A' ' 46' ' ' SER . 3.1 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.5 mm -99.64 124.62 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CZ ' ' HD2' ' A' ' 65' ' ' ARG . 47.1 m-85 -140.67 160.71 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.4 t -101.47 123.32 54.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.447 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 30.3 t -119.0 -5.03 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -148.17 144.03 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 16.1 mt -145.1 124.73 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.5 t -79.79 123.07 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -66.08 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.48 -18.8 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.77 151.45 25.17 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.437 1.086 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.63 12.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.54 -31.46 16.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.63 -38.98 12.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 58' ' ' GLY . 4.2 mm-40 -102.19 -27.48 12.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.38 -65.32 0.23 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.438 1.087 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.58 -14.37 35.46 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.501 ' CD2' ' CD2' ' A' ' 23' ' ' PHE . 8.8 tp -46.22 170.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -161.9 126.27 3.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.559 HG23 ' CD2' ' A' ' 63' ' ' HIS . 2.8 mt -42.2 146.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.559 ' CD2' HG23 ' A' ' 62' ' ' ILE . 41.0 m-70 68.15 41.19 2.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 109.596 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -123.32 125.53 45.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.476 ' HD2' ' CZ ' ' A' ' 44' ' ' PHE . 37.9 ttt180 -86.76 120.33 27.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.88 135.27 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.475 ' CD1' ' HG ' ' A' ' 98' ' ' LEU . 2.5 mm -102.28 -52.14 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -144.06 153.46 42.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.567 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.53 116.37 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.471 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 1.2 t-20 56.16 22.09 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.29 -0.84 62.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 125.06 40.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.356 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -77.46 136.73 38.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 11.3 mt -137.73 13.94 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -64.55 -42.42 95.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.89 21.48 15.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -95.05 167.24 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -99.73 166.01 11.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -50.45 -39.81 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.578 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -52.12 66.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -61.38 -48.13 82.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.44 -56.44 18.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 87' ' ' LYS . 47.3 t -52.07 -53.31 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.59 -48.47 63.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -53.82 -52.07 61.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 69' ' ' VAL . 27.6 m-85 -67.66 -25.81 65.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 83' ' ' VAL . 11.1 ttmm -76.22 -45.39 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.7 p -86.26 -9.35 56.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -60.69 142.91 55.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.471 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -109.53 152.99 24.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.508 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.5 mp0 -91.84 139.92 24.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.97 151.03 96.4 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.045 -0.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 14.5 mt -102.32 110.65 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -83.78 111.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.04 151.81 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.118 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.4 tt0 -133.36 138.44 46.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.48 HG12 ' CD1' ' A' ' 60' ' ' LEU . 11.3 m -126.24 165.36 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.475 ' HG ' ' CD1' ' A' ' 67' ' ' ILE . 14.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.404 ' CB ' HD12 ' A' ' 98' ' ' LEU . 1.3 p -139.23 122.62 17.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.94 157.06 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -106.33 140.24 39.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.99 135.07 32.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.405 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 35.4 t -99.08 116.87 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' CD1' HG21 ' A' ' 95' ' ' VAL . 31.9 mt -108.28 154.26 22.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.562 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 21' ' ' LEU . 4.3 mm? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 108.86 21.65 7.36 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.72 -168.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -140.22 172.37 12.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.561 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.8 pt -135.89 165.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 46' ' ' SER . 3.0 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.412 HD12 ' CA ' ' A' ' 78' ' ' THR . 24.2 mm -105.67 134.53 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 72.7 m-85 -141.31 166.54 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.9 t -109.9 115.88 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.466 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 46.9 t -107.12 -4.74 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.71 153.74 34.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 55' ' ' ALA . 14.4 mt -153.18 118.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' GLY . 55.2 t -69.52 120.94 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -62.06 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -11.96 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.75 156.2 52.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.8 11.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.422 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -84.94 -37.49 20.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.454 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . . . -92.09 -40.34 11.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 58' ' ' GLY . 26.7 mm-40 -102.06 -27.58 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.14 -63.02 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.76 3.13 55.16 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 tp -67.71 167.53 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -151.91 128.68 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.543 HG22 ' CG ' ' A' ' 63' ' ' HIS . 4.4 mt -46.84 153.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.543 ' CG ' HG22 ' A' ' 62' ' ' ILE . 35.8 m-70 60.76 46.28 9.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.644 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 7.4 m-20 -124.8 139.79 53.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 6.6 ttt180 -98.18 116.58 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.35 136.75 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.431 HD11 ' CD1' ' A' ' 98' ' ' LEU . 1.7 mm -103.17 -50.0 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -144.54 153.16 41.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.598 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.3 117.52 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.461 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 3.8 t-20 58.39 17.0 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.07 -0.42 57.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.69 124.75 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -78.11 120.58 23.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.42 HD11 ' CG1' ' A' ' 69' ' ' VAL . 13.6 mt -120.29 -3.64 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.37 -35.99 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -112.82 22.61 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.59 170.42 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.412 ' CA ' HD12 ' A' ' 43' ' ' ILE . 5.5 t -109.07 168.04 9.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.561 ' CD2' HG13 ' A' ' 25' ' ' ILE . 46.2 t-80 -49.4 -45.03 45.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -52.1 63.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -64.16 -50.04 69.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.95 -52.52 24.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.7 t -52.55 -55.84 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.88 -41.61 74.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.92 -53.65 54.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.598 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 30.7 m-85 -67.59 -26.61 66.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -44.02 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.3 p -87.43 -0.13 56.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.59 148.38 48.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.461 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 2.5 mmmt -117.97 151.32 37.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -90.23 140.36 27.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 144.83 82.21 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 17.0 mt -96.59 111.4 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.9 t -83.58 110.9 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -117.42 150.87 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 4.5 tt0 -133.15 146.07 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.409 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 18.1 m -132.1 164.89 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.431 ' CD1' HD11 ' A' ' 67' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.432 ' CB ' HD12 ' A' ' 98' ' ' LEU . 11.5 p -128.43 126.45 40.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.518 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.67 155.32 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -108.51 139.99 42.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.432 HD13 ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.45 136.83 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.48 117.47 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.586 ' CD2' ' CA ' ' A' ' 58' ' ' GLY . 31.0 mt -110.96 155.61 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.538 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HG ' ' CD1' ' A' ' 86' ' ' PHE . 3.8 mm? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.78 39.4 3.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -178.4 -179.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -122.71 166.69 14.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.526 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.9 pt -139.78 148.91 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.369 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.453 ' CG2' ' HB2' ' A' ' 46' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.8 mm -128.45 125.54 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.609 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 60.2 m-85 -137.4 162.73 32.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.538 ' CG2' ' OD1' ' A' ' 64' ' ' ASP . 73.2 t -103.69 122.61 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.453 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 11.0 t -106.13 -40.24 5.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.81 144.72 48.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 28.0 mt -140.42 121.83 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.89 118.61 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 52' ' ' GLY . 11.1 m-20 -49.81 -83.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t -40.41 -29.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 50' ' ' ASP . . . -48.61 152.19 2.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.2 12.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -84.26 -38.48 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.74 -42.82 9.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -49.46 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 58' ' ' GLY . 12.0 pt-20 -101.93 -28.79 12.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.586 ' CA ' ' CD2' ' A' ' 14' ' ' LEU . . . -32.25 -50.86 0.38 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.68 4.83 75.53 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.492 ' CD1' HG12 ' A' ' 97' ' ' VAL . 7.1 tp -67.99 171.25 7.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.42 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -157.74 126.85 5.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.55 HG21 ' CD2' ' A' ' 63' ' ' HIS . 3.1 mt -40.9 147.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.55 ' CD2' HG21 ' A' ' 62' ' ' ILE . 38.6 m-70 65.54 55.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.538 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -115.6 169.69 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 17.1 ttt180 -132.34 83.54 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.9 mt -50.3 133.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.465 HD12 ' CD2' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -106.96 -40.69 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -148.93 149.18 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.23 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.579 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -138.99 116.51 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 61.69 14.83 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.94 5.25 56.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.46 125.12 43.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.34 121.07 23.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.422 HD12 ' CB ' ' A' ' 85' ' ' ALA . 16.4 mt -123.14 2.28 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -50.23 -38.45 40.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -112.72 21.96 15.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.14 170.88 8.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.4 t -107.44 167.89 9.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.526 ' CD2' HG13 ' A' ' 25' ' ' ILE . 55.1 t-80 -51.0 -41.51 59.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.605 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -52.26 66.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -49.47 73.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.53 -52.36 30.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' HD12 ' A' ' 25' ' ' ILE . 26.0 t -54.61 -55.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -50.58 -47.27 58.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -54.11 -56.83 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.579 ' CZ ' HG22 ' A' ' 69' ' ' VAL . 20.5 m-85 -60.65 -25.62 66.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -51.49 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.8 p -79.26 -4.99 53.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -70.97 149.84 46.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -119.76 151.67 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 3.5 mp0 -88.68 144.0 32.73 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.98 138.5 56.44 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.043 -0.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 14' ' ' LEU . 23.4 mt -91.04 111.88 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.5 t -84.19 110.98 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.469 ' CG1' HG21 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -114.97 151.05 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -133.08 139.05 46.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.492 HG12 ' CD1' ' A' ' 60' ' ' LEU . 11.4 m -128.6 165.23 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 67' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tptt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 p -109.76 117.83 34.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 1.4 mp -106.17 147.97 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -99.98 140.83 33.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.459 HD13 ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -144.68 139.6 28.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.484 HG13 ' CE1' ' A' ' 15' ' ' HIS . 24.8 t -99.39 116.33 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 95' ' ' VAL . 74.9 mt -107.07 155.54 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.484 ' CE1' HG13 ' A' ' 13' ' ' VAL . 1.7 m-70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.589 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 21' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 103.2 29.65 5.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.432 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -171.11 -178.62 2.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 111.016 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.56 -174.2 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.53 ' CD1' ' CB ' ' A' ' 82' ' ' ALA . 3.1 pt -149.84 160.63 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.482 ' CG2' ' CB ' ' A' ' 46' ' ' SER . 2.9 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.419 HD13 ' CA ' ' A' ' 78' ' ' THR . 26.2 mm -111.82 128.18 68.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.523 ' CE2' ' HG3' ' A' ' 65' ' ' ARG . 79.1 m-85 -138.31 158.42 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.409 HG22 ' OD2' ' A' ' 64' ' ' ASP . 33.5 t -96.24 124.87 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.482 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 38.7 t -122.72 6.29 9.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.066 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.83 149.59 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.446 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 11.6 mt -153.54 118.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' GLY . 68.0 t -69.32 131.23 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.83 -75.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.36 -21.4 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.4 151.13 6.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -2.25 12.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -89.88 -33.4 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.446 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.58 -19.74 22.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -74.72 -82.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' GLY . 11.7 mm-40 -101.97 -19.26 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -35.7 -65.53 0.45 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.94 3.55 48.78 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.515 ' CD1' ' OD2' ' A' ' 64' ' ' ASP . 9.8 tp -71.35 171.42 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -158.42 123.01 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.515 HG22 ' CG ' ' A' ' 63' ' ' HIS . 2.7 mt -38.37 152.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.515 ' CG ' HG22 ' A' ' 62' ' ' ILE . 25.4 m-70 65.06 44.73 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.515 ' OD2' ' CD1' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -115.2 143.01 45.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.523 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 9.3 ttt180 -105.51 91.5 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mt -50.44 140.58 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.445 HD13 ' CD2' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -114.1 -44.06 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.97 152.6 37.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.589 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -139.93 117.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 1.8 t-20 55.35 19.79 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.16 -3.35 56.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.84 126.91 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -80.72 129.47 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.407 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 16.0 mt -125.07 2.7 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 t -54.55 -36.82 64.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -112.75 20.8 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -99.9 171.29 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.419 ' CA ' HD13 ' A' ' 43' ' ' ILE . 1.7 p -107.21 -177.25 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.443 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.519 ' CD2' HG13 ' A' ' 25' ' ' ILE . 57.8 t-80 -62.6 -42.79 99.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -52.08 66.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -61.35 -48.38 81.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -52.09 -57.3 9.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.6 t -51.84 -54.4 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -50.44 -46.34 56.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -55.06 -57.24 12.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.589 ' CZ ' HG22 ' A' ' 69' ' ' VAL . 47.6 m-85 -64.27 -25.53 68.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 83' ' ' VAL . 29.5 ttpt -74.14 -49.14 25.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.5 p -84.04 -7.48 59.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -65.98 150.23 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.441 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.4 mmmt -117.59 152.29 35.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -91.0 143.39 28.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 141.61 72.29 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.998 -0.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 22.5 mt -93.18 111.86 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' ASN . 61.4 t -82.99 110.41 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -115.71 150.48 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -128.7 136.14 50.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.488 HG12 ' CD1' ' A' ' 60' ' ' LEU . 5.0 m -124.65 165.16 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' A' ' 67' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mttt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -103.73 125.65 50.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.422 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -120.35 145.69 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -102.91 140.52 37.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.32 137.23 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.87 116.56 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 32.8 mt -107.83 154.06 22.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.598 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 21' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.88 43.23 1.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.409 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -179.19 177.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.08 161.71 36.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.442 HD12 ' CB ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -124.77 157.58 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 pt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.8 mm -101.94 129.88 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 49.3 m-85 -143.81 154.45 43.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' HIS . 95.0 t -96.01 116.21 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.9 t -114.02 -8.42 13.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -140.43 146.64 38.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.482 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 12.5 mt -153.63 116.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.2 t -72.02 117.02 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -53.59 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -13.98 30.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.69 153.67 40.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -89.22 -31.84 17.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.482 ' HB1' ' CG2' ' A' ' 48' ' ' ILE . . . -92.0 -30.99 15.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -61.92 -83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' GLY . 67.3 mt-10 -101.77 -24.83 14.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.01 -63.64 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.977 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.87 2.31 52.28 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 tp -66.2 173.32 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -159.98 123.68 3.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.509 HG22 ' CG ' ' A' ' 63' ' ' HIS . 2.4 mt -40.97 155.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.509 ' CG ' HG22 ' A' ' 62' ' ' ILE . 11.8 m-70 57.2 49.62 13.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 29.6 m-20 -128.39 122.78 32.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 25.3 ttt180 -85.72 106.78 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.01 143.86 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.434 HD12 ' CD2' ' A' ' 98' ' ' LEU . 1.1 mm -110.66 -49.17 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -142.94 152.68 42.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.606 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -141.18 115.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 4.6 t-20 60.32 15.62 5.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.65 -2.98 53.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.49 124.76 38.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 0.736 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.59 128.1 33.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.452 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 8.1 mt -124.32 2.29 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 t -54.69 -39.33 68.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -111.92 21.45 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.62 179.78 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 p -116.1 176.83 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.475 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 60.2 t-80 -60.22 -33.6 72.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.7 -52.07 54.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -66.45 -50.47 63.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' CB ' HD12 ' A' ' 25' ' ' ILE . . . -51.41 -50.08 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 79' ' ' HIS . 37.8 t -57.06 -55.85 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -53.11 -39.09 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -59.04 -55.98 28.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.606 ' CZ ' HG22 ' A' ' 69' ' ' VAL . 26.5 m-85 -65.34 -25.69 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.31 -47.07 20.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.1 p -85.81 -3.0 58.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -67.33 148.15 52.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.447 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.8 mmmt -116.14 152.75 33.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 12.2 mt-10 -91.15 141.47 26.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.05 145.02 82.72 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.976 0.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.2 mt -96.68 111.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -83.61 111.13 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.476 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -117.74 150.72 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 6.2 tt0 -135.82 147.26 48.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 15.5 m -135.84 164.73 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.434 ' CD2' HD12 ' A' ' 67' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.3 p -107.93 128.92 55.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.53 157.37 38.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.75 140.93 43.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.84 136.69 35.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -98.71 116.99 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.9 mt -103.88 154.51 19.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.506 ' CA ' HG21 ' A' ' 49' ' ' VAL . . . 101.32 44.57 1.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.41 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.7 p90 -178.84 177.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -141.6 165.28 27.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.573 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.5 pt -126.39 162.64 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 46' ' ' SER . 3.4 pt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.408 ' CG2' HG22 ' A' ' 25' ' ' ILE . 19.5 mm -101.83 118.82 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 56.1 m-85 -133.84 153.24 51.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.478 ' CG1' HG13 ' A' ' 48' ' ' ILE . 77.5 t -90.07 124.31 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.441 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 36.0 t -113.38 -20.74 11.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -134.49 152.88 52.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.478 HG13 ' CG1' ' A' ' 45' ' ' VAL . 3.5 mt -156.86 111.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.53 ' CG2' ' HA3' ' A' ' 52' ' ' GLY . 2.4 m -67.88 149.92 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -78.09 -79.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -34.15 -52.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.53 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -33.38 150.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -11.75 21.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -73.15 -28.89 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -94.19 -38.06 11.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 58' ' ' GLY . 10.9 mt-10 -100.86 -24.43 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -29.79 -57.33 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.85 -12.53 67.18 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 tp -53.74 168.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -165.69 126.71 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.562 HG22 ' CD2' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -41.09 148.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.562 ' CD2' HG22 ' A' ' 62' ' ' ILE . 2.0 m80 68.9 35.4 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 33.5 m-20 -117.73 119.46 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 42.3 ttt180 -85.66 107.76 17.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.408 HG22 HG13 ' A' ' 95' ' ' VAL . 1.1 mt -63.42 139.27 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 98' ' ' LEU . 1.1 mm -106.29 -46.04 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -147.78 151.64 36.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.59 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.6 118.04 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.514 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 6.7 t-20 57.64 17.36 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.21 -4.28 55.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.46 127.59 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.497 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -78.99 137.82 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 6.5 mt -143.89 24.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 p -68.36 -44.98 74.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -112.42 9.42 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.448 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -75.47 173.34 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 p -101.34 156.66 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.573 ' CD2' HG13 ' A' ' 25' ' ' ILE . 36.0 t-80 -49.29 -26.07 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -46.32 50.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -65.3 -54.89 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.403 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -49.81 -51.95 35.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 79' ' ' HIS . 25.5 t -53.42 -55.7 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -53.27 -44.53 68.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.422 ' CB ' HD13 ' A' ' 74' ' ' LEU . . . -54.09 -54.2 42.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.59 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 31.7 m-85 -64.58 -26.97 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -45.58 39.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 74.7 p -87.71 0.61 55.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -72.7 150.43 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.514 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 4.5 mmmt -121.16 153.67 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 14.3 mt-10 -89.52 142.66 29.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.1 Cg_endo -75.01 140.93 70.07 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.997 0.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 28.3 mt -93.21 111.05 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 70' ' ' ASN . 44.4 t -83.62 109.97 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.455 ' CG1' HG21 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -115.97 150.82 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.8 tt0 -134.56 141.02 46.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 12.5 m -131.12 165.15 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.426 ' CD2' HD11 ' A' ' 67' ' ' ILE . 1.7 mp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 p -113.68 115.05 27.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -102.79 146.27 28.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.04 141.06 32.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.54 136.59 31.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.3 t -99.34 116.98 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.523 ' CD2' ' CA ' ' A' ' 58' ' ' GLY . 29.4 mt -107.81 154.6 21.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.547 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.85 33.74 5.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.453 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -176.29 -179.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 111.02 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' N ' ' HE2' ' A' ' 47' ' ' LYS . 1.2 t-20 -135.76 162.86 31.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 79' ' ' HIS . 4.8 pt -129.68 163.06 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 17.1 mm -110.55 129.31 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 89.7 m-85 -143.59 151.71 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -95.67 124.73 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 t -117.52 -7.17 11.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 109.941 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 23' ' ' PHE . 7.1 ttpt -148.92 145.33 27.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.46 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 36.2 mt -147.94 121.38 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.5 t -69.55 119.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.18 -72.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -18.61 11.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.97 153.97 15.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.3 Cg_endo -74.98 -2.46 12.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.92 -41.37 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HB1' ' CG2' ' A' ' 48' ' ' ILE . . . -90.75 -37.07 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -55.13 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' GLY . 46.6 mt-10 -101.26 -29.64 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.523 ' CA ' ' CD2' ' A' ' 14' ' ' LEU . . . -35.67 -60.11 0.82 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.59 -9.52 58.85 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 ' CD1' HG13 ' A' ' 97' ' ' VAL . 10.0 tp -55.36 166.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -156.31 129.89 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.589 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.6 mt -43.35 156.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.589 ' CD2' HG22 ' A' ' 62' ' ' ILE . 10.1 m170 60.42 45.56 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 17.6 m-20 -128.12 133.45 48.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 22.5 ttt180 -98.2 110.9 23.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mt -63.55 140.88 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.42 -44.16 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.451 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -151.4 153.21 34.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.578 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.43 113.58 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 94' ' ' VAL . 3.0 t-20 72.69 -47.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 69' ' ' VAL . . . 160.09 23.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 1.1 mtt180 -115.86 134.41 55.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.43 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 16.3 t0 -71.17 121.17 17.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.475 HD13 ' CG1' ' A' ' 69' ' ' VAL . 6.4 mt -133.25 15.53 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.431 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 3.0 t -65.76 -46.93 76.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -113.26 21.36 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -84.89 169.47 14.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -100.23 170.45 8.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.567 ' CD2' HG13 ' A' ' 25' ' ' ILE . 48.1 t-80 -55.1 -36.46 65.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -49.5 72.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.24 -50.69 67.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.471 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . . . -53.2 -56.19 18.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.2 t -52.89 -54.66 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -50.27 -48.78 54.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -53.23 -54.15 40.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 27.2 m-85 -64.96 -25.62 67.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -76.84 -38.99 52.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.0 p -99.25 7.58 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -72.61 140.07 47.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.465 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 30.3 mmtt -104.09 152.83 21.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 14.7 mt-10 -95.56 140.81 22.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.99 146.27 86.2 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.03 -2.487 . . . . 0.0 111.021 -0.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 9.4 mt -95.99 111.94 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' ASN . 3.8 p -83.54 108.47 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.482 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -112.8 149.16 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -134.91 145.09 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.487 HG13 ' CD1' ' A' ' 60' ' ' LEU . 26.9 m -135.01 162.87 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mptt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.344 -0.614 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.427 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 65.9 p -106.28 132.08 52.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.669 ' N ' HE21 ' A' ' 96' ' ' GLN . 5.4 mt -124.82 157.44 35.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -108.82 140.7 41.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.484 ' CD2' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.8 138.64 39.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 92' ' ' PRO . 0.3 OUTLIER -99.75 117.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 95' ' ' VAL . 73.9 mt -105.61 154.65 20.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.475 ' CA ' HG21 ' A' ' 49' ' ' VAL . . . 102.44 43.68 1.96 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.411 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.8 p90 -176.35 173.2 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -130.01 167.37 18.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.549 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.3 pt -128.8 158.79 41.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 46' ' ' SER . 1.3 pt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.0 mm -100.52 126.96 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.537 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 72.4 m-85 -138.95 166.82 23.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' HIS . 90.0 t -107.09 130.86 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.461 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 12.6 t -120.47 -38.37 2.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.03 147.35 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.0 mt -154.2 102.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.518 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.3 m -66.81 149.15 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.548 ' O ' ' C ' ' A' ' 51' ' ' SER . 31.1 m-20 -76.08 -88.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 50' ' ' ASP . 2.2 m -26.51 -48.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.494 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -36.76 150.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -8.24 19.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -77.17 -33.13 56.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -93.41 -36.74 12.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 58' ' ' GLY . 40.0 mt-10 -100.97 -25.22 14.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -30.96 -57.39 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.22 -10.72 67.55 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.496 ' CD1' HG11 ' A' ' 97' ' ' VAL . 6.2 tp -52.57 165.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.34 126.9 8.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.499 HG22 ' CG ' ' A' ' 63' ' ' HIS . 2.0 mt -42.84 147.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.499 ' CG ' HG22 ' A' ' 62' ' ' ILE . 27.8 m-70 61.61 50.7 4.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -123.5 134.59 53.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.537 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 17.0 ttt180 -92.99 108.37 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.91 136.49 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.472 ' CD1' HD12 ' A' ' 98' ' ' LEU . 3.5 mm -103.2 -52.1 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -143.65 155.15 44.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.577 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.4 116.44 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 4.2 t-20 55.6 19.83 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.65 -0.67 58.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 124.63 35.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.8 120.71 21.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.467 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 16.8 mt -116.2 -7.02 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.3 t -53.8 -36.55 62.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -112.8 21.56 15.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -104.56 174.4 5.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 p -111.51 173.21 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.549 ' CD2' HG13 ' A' ' 25' ' ' ILE . 37.6 t-80 -55.5 -39.75 70.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.623 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -52.09 66.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.62 -49.02 74.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 1.065 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.456 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -50.15 -51.73 41.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.44 ' CG2' HD11 ' A' ' 25' ' ' ILE . 12.7 t -55.21 -56.23 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -51.34 -42.86 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -56.51 -56.41 21.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.577 ' CZ ' HG22 ' A' ' 69' ' ' VAL . 40.3 m-85 -64.62 -25.45 67.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -42.7 38.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.5 p -90.11 -2.65 58.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -70.33 148.12 48.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.505 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 24.6 mmtt -115.32 151.9 33.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.3 mp0 -90.64 141.99 27.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.92 143.66 78.52 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.006 -0.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 18.9 mt -95.15 111.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.69 110.06 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.478 HG12 ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.27 151.5 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.669 HE21 ' N ' ' A' ' 10' ' ' LEU . 1.1 tt0 -130.05 132.04 46.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 60' ' ' LEU . 15.6 m -124.39 165.38 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 67' ' ' ILE . 18.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -120.96 118.9 31.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mt -110.46 151.16 27.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -101.55 141.11 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.433 ' CD1' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.45 137.81 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.04 117.03 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' CD2' ' CA ' ' A' ' 58' ' ' GLY . 46.8 mt -109.04 155.68 20.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 102.68 29.22 5.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.408 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -170.1 -169.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.16 163.17 37.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.494 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.3 pt -130.09 162.8 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.438 ' CG2' ' CB ' ' A' ' 46' ' ' SER . 3.8 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.4 mm -111.88 128.54 68.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 82.2 m-85 -141.74 154.92 45.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.422 HG23 ' OD2' ' A' ' 64' ' ' ASP . 45.8 t -90.54 127.5 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.438 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 47.2 t -123.11 3.78 9.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.952 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.41 148.82 18.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.4 HD13 ' N ' ' A' ' 62' ' ' ILE . 12.9 mt -152.51 117.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' GLY . 22.5 t -71.13 119.54 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.17 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -21.83 12.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.1 147.02 1.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.538 ' HA ' ' CG ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -75.05 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.458 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -91.83 -19.61 22.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.72 -60.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' CG ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -40.28 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.7 mt-10 -90.98 -43.93 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -20.75 -55.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . 89.06 4.15 75.19 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.507 ' CD1' ' OD2' ' A' ' 64' ' ' ASP . 10.2 tp -69.55 170.53 10.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -162.37 126.37 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.57 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.1 mt -38.91 150.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.57 ' CD2' HG22 ' A' ' 62' ' ' ILE . 9.2 m170 68.73 45.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.619 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.507 ' OD2' ' CD1' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -117.34 142.17 47.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 7.0 ttt180 -107.46 89.4 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.6 mt -50.17 135.91 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.425 HD12 ' CD1' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -108.07 -42.49 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.87 152.71 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.59 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -139.91 116.02 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 2.4 t-20 58.15 17.7 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.97 -1.61 55.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.22 129.65 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -81.26 129.29 34.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.442 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 14.0 mt -131.68 11.9 4.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.5 p -58.44 -42.73 88.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -112.32 21.48 15.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.442 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -93.27 171.68 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -107.19 166.54 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.42 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.494 ' CD2' HG13 ' A' ' 25' ' ' ILE . 21.7 t-80 -51.25 -38.65 53.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -51.63 67.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -65.32 -47.64 75.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -55.41 -56.84 15.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.3 t -51.84 -51.45 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.8 -45.51 74.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.26 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -53.58 -53.64 48.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.59 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 35.1 m-85 -64.73 -25.59 68.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -77.91 -43.94 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.0 p -87.02 -5.42 59.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -71.67 147.77 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.456 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -114.87 152.67 31.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.1 mt-10 -89.81 142.9 29.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.97 145.1 83.0 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -0.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.5 mt -97.85 111.9 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.4 t -83.56 110.33 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.472 ' CG1' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -115.49 151.01 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 3.0 tt0 -129.87 141.9 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.475 HG11 ' CD1' ' A' ' 60' ' ' LEU . 5.3 m -130.03 164.84 31.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.425 ' CD1' HD12 ' A' ' 67' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 p -115.64 124.71 51.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.82 157.01 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -108.61 140.31 42.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.54 134.6 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 56.9 t -98.69 116.4 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 39.2 mt -108.78 154.76 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.582 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 4.3 mm? . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.41 40.23 85.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.123 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -177.49 -175.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 111.042 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.79 -172.96 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.543 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.1 pt -150.93 157.74 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.42 ' CG2' ' HB3' ' A' ' 46' ' ' SER . 3.9 pt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.5 mm -111.44 128.27 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.596 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 68.5 m-85 -145.21 149.73 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.53 ' CG2' ' OD1' ' A' ' 64' ' ' ASP . 99.5 t -89.92 122.88 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.42 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 43.9 t -118.17 3.83 12.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -154.66 148.05 25.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.474 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 26.2 mt -154.07 125.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.8 t -80.05 120.49 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.083 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.64 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -22.28 4.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.14 151.68 0.82 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -2.25 12.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.76 -33.89 16.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.474 ' HB1' ' CG2' ' A' ' 48' ' ' ILE . . . -91.87 -38.1 12.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 58' ' ' GLY . 42.3 mm-40 -101.78 -27.59 12.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -33.13 -60.89 0.43 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.117 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.37 4.98 59.38 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.494 ' CD1' HG13 ' A' ' 97' ' ' VAL . 9.7 tp -69.65 168.62 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' ILE . 1.1 mt-30 -157.1 123.44 4.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.458 HG22 ' CG ' ' A' ' 63' ' ' HIS . 2.2 mt -37.97 151.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.458 ' CG ' HG22 ' A' ' 62' ' ' ILE . 30.9 m-70 66.12 49.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.53 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -114.0 171.51 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.596 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 13.7 ttt180 -134.96 85.27 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 1.5 mt -50.52 135.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.524 ' CD1' ' O ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -108.37 -42.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -148.19 150.88 34.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 110.258 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.533 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -139.94 117.04 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 3.4 t-20 58.66 16.48 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.29 -1.17 54.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.71 127.35 39.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -82.58 126.29 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.486 HD12 ' CG1' ' A' ' 69' ' ' VAL . 11.3 mt -124.08 1.59 8.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 t -50.32 -38.33 41.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -112.64 21.84 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.7 178.03 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 p -116.25 -177.49 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.543 ' CD2' HG13 ' A' ' 25' ' ' ILE . 31.9 t-80 -64.66 -33.84 76.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.36 -50.79 62.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.91 -46.1 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.69 -52.5 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 79' ' ' HIS . 48.5 t -55.86 -55.13 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -52.02 -40.04 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -56.62 -54.47 45.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.533 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 25.8 m-85 -65.64 -26.43 67.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -75.88 -48.34 21.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.1 p -83.39 -5.88 59.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 85' ' ' ALA . . . -71.09 143.81 50.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.476 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 22.6 mmtm -109.26 154.51 22.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.2 mt-10 -91.44 142.93 27.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.98 146.13 85.82 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.025 -0.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 19.7 mt -97.89 112.35 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.494 HG11 ' O ' ' A' ' 94' ' ' VAL . 7.2 p -84.07 112.17 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.84 147.42 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 2.6 tt0 -131.04 141.04 50.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.494 HG13 ' CD1' ' A' ' 60' ' ' LEU . 30.8 m -129.62 165.07 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.474 ' HG ' ' CD1' ' A' ' 67' ' ' ILE . 13.0 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.483 ' CB ' HD11 ' A' ' 98' ' ' LEU . 41.2 p -114.02 125.24 53.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 mt -117.49 156.44 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -108.77 140.88 41.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.98 133.97 34.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.428 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 66.4 t -98.46 116.9 42.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 95' ' ' VAL . 66.7 mt -103.95 154.27 19.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.625 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.02 34.21 4.37 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -178.22 -179.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.967 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.33 -176.52 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.472 ' CD1' ' HB1' ' A' ' 82' ' ' ALA . 2.0 pt -150.63 162.64 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 46' ' ' SER . 3.7 pt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.9 mm -111.68 120.62 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.598 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 48.5 m-85 -134.59 165.42 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.529 ' CG2' ' OD1' ' A' ' 64' ' ' ASP . 74.7 t -105.56 120.64 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.468 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 40.9 t -114.28 6.85 16.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.89 146.83 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.478 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 53.0 mt -150.31 131.36 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.8 t -79.18 118.05 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -69.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -15.88 14.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.95 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.31 154.36 20.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -2.11 12.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -90.57 -33.19 15.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.478 ' HB1' ' CG2' ' A' ' 48' ' ' ILE . . . -91.58 -32.15 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -60.48 -83.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLY . 7.4 mm-40 -101.93 -24.21 14.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -34.36 -56.87 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.1 -0.05 62.01 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.499 ' CD1' HG12 ' A' ' 97' ' ' VAL . 7.1 tp -65.91 167.82 9.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -159.7 126.82 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.589 HG21 ' CD2' ' A' ' 63' ' ' HIS . 1.3 mt -37.71 153.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.589 ' CD2' HG21 ' A' ' 62' ' ' ILE . 8.9 m170 62.72 51.45 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.585 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.529 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -113.85 168.56 9.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.598 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 7.6 ttt180 -132.24 83.74 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.418 HG23 HG13 ' A' ' 95' ' ' VAL . 1.6 mt -50.48 125.45 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.476 ' CD1' HD13 ' A' ' 98' ' ' LEU . 1.4 mm -98.55 -45.33 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -149.91 154.32 38.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.577 ' CG2' ' CE1' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -138.62 113.1 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 72.77 -50.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.81 24.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -116.05 123.89 49.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.84 113.24 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 9.7 mt -115.81 0.6 13.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -63.1 -41.04 99.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -112.68 22.34 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -96.05 177.28 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -115.9 166.25 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.443 ' CD2' HG13 ' A' ' 25' ' ' ILE . 56.5 t-80 -49.79 -38.62 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -52.79 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -67.05 -47.56 70.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HB1' ' CD1' ' A' ' 25' ' ' ILE . . . -50.43 -48.18 56.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.7 t -60.26 -55.49 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -50.23 -40.57 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.442 ' CB ' HD12 ' A' ' 74' ' ' LEU . . . -57.56 -56.4 22.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.577 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 33.7 m-85 -65.75 -26.04 67.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -38.57 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.1 p -100.68 6.8 44.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.372 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -72.56 145.57 47.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -115.54 150.79 36.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.5 mp0 -91.13 144.23 29.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.04 134.11 34.45 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.013 0.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.428 ' N ' ' HA ' ' A' ' 91' ' ' GLU . 16.0 mt -85.4 110.01 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -86.2 110.66 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -115.63 151.02 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -131.73 136.68 47.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.499 HG12 ' CD1' ' A' ' 60' ' ' LEU . 17.1 m -130.65 162.0 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.483 HD11 ' CB ' ' A' ' 9' ' ' SER . 4.5 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 p -115.28 116.39 28.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.7 mt -105.79 153.61 21.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.31 140.45 38.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.49 133.02 28.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -98.69 116.67 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 39.1 mt -105.66 154.62 20.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.568 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 21' ' ' LEU . 2.8 mm? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.557 ' CA ' HG12 ' A' ' 49' ' ' VAL . . . 102.22 50.95 1.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.455 ' HB3' ' O ' ' A' ' 22' ' ' GLY . 1.4 p90 178.51 172.9 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 0.721 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -132.7 159.58 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.577 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.4 pt -125.94 159.88 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.453 ' CG2' ' HB2' ' A' ' 46' ' ' SER . 2.0 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.2 mm -100.63 119.54 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -138.02 150.15 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.2 t -92.21 125.2 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.453 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 20.9 t -113.13 -25.9 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 48' ' ' ILE . 1.1 tmtp? -127.56 152.55 47.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.411 ' N ' ' HD3' ' A' ' 47' ' ' LYS . 3.3 mt -156.13 102.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.557 HG12 ' CA ' ' A' ' 22' ' ' GLY . 4.1 p -63.59 149.01 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.28 -66.9 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.2 t -44.14 -47.58 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.553 ' HA3' ' CG1' ' A' ' 49' ' ' VAL . . . -35.73 147.89 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -7.0 18.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.434 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -80.12 -32.1 39.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -92.13 -27.52 17.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -66.44 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.1 pt-20 -100.71 -26.49 13.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.454 ' CA ' ' CD2' ' A' ' 14' ' ' LEU . . . -34.07 -55.22 0.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.57 4.39 73.33 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 97' ' ' VAL . 11.0 tp -65.91 158.97 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 62' ' ' ILE . 2.3 tt0 -147.18 123.49 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.553 HG21 ' CD2' ' A' ' 63' ' ' HIS . 1.1 mt -40.16 154.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.553 ' CD2' HG21 ' A' ' 62' ' ' ILE . 0.8 OUTLIER 62.67 38.55 11.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 13.0 m-20 -117.38 125.78 51.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -89.5 103.83 16.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.236 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mt -57.48 142.49 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.438 HD11 ' CD2' ' A' ' 98' ' ' LEU . 1.6 mm -110.24 -48.8 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -145.84 152.63 39.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.57 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.55 117.73 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.564 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 3.6 t-20 56.84 18.04 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.8 -3.11 55.85 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.15 126.82 39.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' OD2' ' OE1' ' A' ' 68' ' ' GLU . 7.4 t70 -80.03 135.31 36.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.456 HD13 ' CG1' ' A' ' 69' ' ' VAL . 12.8 mt -132.93 9.24 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.7 p -60.47 -40.36 90.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 20.58 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.435 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -95.91 177.55 5.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.4 t -114.99 164.31 14.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.577 ' CD2' HG13 ' A' ' 25' ' ' ILE . 49.1 t-80 -49.41 -35.44 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -52.13 62.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -66.39 -47.79 72.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.413 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -51.01 -55.11 19.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.441 HG21 ' CE1' ' A' ' 79' ' ' HIS . 33.7 t -52.84 -55.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -51.14 -46.55 62.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -53.76 -52.84 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 27.3 m-85 -67.09 -26.08 66.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -75.93 -42.15 49.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -88.14 -12.05 45.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -58.09 150.71 20.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.564 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -118.75 152.83 35.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -91.99 139.88 24.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -75.01 143.43 77.77 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.001 0.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.455 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 15.0 mt -95.62 111.51 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.7 OUTLIER -83.61 112.9 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.472 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -118.47 150.15 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -133.66 136.77 44.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 60' ' ' LEU . 22.0 m -127.7 165.76 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.438 ' CD2' HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.472 ' CB ' HD13 ' A' ' 98' ' ' LEU . 4.2 p -114.03 120.29 40.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.053 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.2 158.11 17.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -106.75 140.61 39.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.71 134.5 32.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -100.05 117.03 44.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.593 ' CD2' ' CA ' ' A' ' 58' ' ' GLY . 27.5 mt -108.98 154.91 21.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.629 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.98 44.32 1.78 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.405 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -177.44 177.52 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 0.776 . . . . 0.0 110.949 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -134.73 154.86 51.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.404 ' CD1' HG22 ' A' ' 83' ' ' VAL . 2.6 pt -123.97 154.04 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 46' ' ' SER . 2.8 pt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.4 mm -121.08 121.98 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 0.778 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.51 ' CE2' ' HG3' ' A' ' 65' ' ' ARG . 78.7 m-85 -137.75 153.39 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' HG13 ' A' ' 48' ' ' ILE . 93.8 t -93.31 113.5 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.463 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 9.6 t -98.84 -40.85 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 155.32 32.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.471 HG13 ' CG1' ' A' ' 45' ' ' VAL . 4.3 mt -151.92 108.74 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 43.1 t -64.18 128.03 25.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.66 -70.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.49 -19.03 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.85 152.95 16.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.0 13.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -90.28 -34.88 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -91.95 -27.2 18.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -66.2 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' GLY . 6.3 mm-40 -101.19 -25.07 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.593 ' CA ' ' CD2' ' A' ' 14' ' ' LEU . . . -34.92 -55.39 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.59 6.0 66.32 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CD1' HG11 ' A' ' 97' ' ' VAL . 7.3 tp -67.15 172.77 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -158.1 130.98 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 63' ' ' HIS . 1.8 mt -47.55 156.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.586 ' CD2' HG21 ' A' ' 62' ' ' ILE . 10.0 m170 58.01 47.69 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 40.8 m-20 -125.82 139.47 53.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.51 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 17.8 ttt180 -101.01 107.49 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.1 132.45 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 98' ' ' LEU . 2.8 mm -96.13 -47.07 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -155.11 154.85 33.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -139.93 113.59 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 74.13 -50.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 162.94 23.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 5.4 mtt180 -116.2 124.78 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -62.86 110.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.485 HD12 ' CB ' ' A' ' 85' ' ' ALA . 7.6 mt -114.05 8.42 17.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.7 p -66.73 -47.67 71.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -113.25 21.69 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -87.19 179.05 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 p -113.26 163.19 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.504 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 51.2 t-80 -50.5 -30.63 13.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.56 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -52.08 42.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.76 -49.53 70.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.8 -56.26 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 79' ' ' HIS . 52.4 t -52.13 -54.11 15.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -55.6 -41.33 73.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.485 ' CB ' HD12 ' A' ' 74' ' ' LEU . . . -58.51 -52.61 64.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CE1' HG21 ' A' ' 69' ' ' VAL . 21.2 m-85 -66.36 -24.97 66.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -50.63 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.0 p -80.77 -12.75 59.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -56.95 140.16 49.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -107.05 153.09 23.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 13.2 mt-10 -92.83 141.07 23.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.98 145.26 83.46 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.049 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 11.7 mt -96.27 111.67 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.2 t -83.85 110.65 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.497 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -115.67 150.44 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.8 OUTLIER -131.76 139.87 49.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.456 HG11 ' CD1' ' A' ' 60' ' ' LEU . 4.6 m -130.48 163.82 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 9' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 p -114.63 116.42 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 1.4 mp -105.35 150.16 25.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -101.65 140.81 35.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.422 HD11 ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -136.34 135.53 38.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 52.8 t -99.42 116.41 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 33.5 mt -99.59 154.27 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.601 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.505 ' CA ' HG21 ' A' ' 49' ' ' VAL . . . 96.29 46.49 2.57 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.6 174.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -133.3 171.31 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 79' ' ' HIS . 0.7 OUTLIER -134.22 155.45 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 pt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.8 mm -113.95 120.41 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.611 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 25.7 m-85 -135.72 168.88 18.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.527 ' CG2' ' OD1' ' A' ' 64' ' ' ASP . 56.4 t -107.0 126.81 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -121.68 -6.56 9.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' C ' HD11 ' A' ' 62' ' ' ILE . 4.9 tttp -144.97 137.47 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.492 HG13 ' CG1' ' A' ' 45' ' ' VAL . 3.4 mt -146.47 112.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.539 ' CG2' ' HA3' ' A' ' 52' ' ' GLY . 1.8 m -71.96 149.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.562 ' O ' ' C ' ' A' ' 51' ' ' SER . 41.3 m-20 -73.62 -92.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.562 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -25.5 -50.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.539 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -33.09 144.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.439 ' HA ' ' CG ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -75.0 -3.53 14.06 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -84.34 -21.38 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -92.67 -60.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -52.21 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.626 ' O ' ' C ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -74.62 -58.03 3.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.626 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -12.59 -65.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . 97.06 -1.43 60.93 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.484 ' CD1' HG12 ' A' ' 97' ' ' VAL . 7.6 tp -64.33 168.54 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.63 133.01 14.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 63' ' ' HIS . 4.9 mm -47.36 135.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.597 ' CD2' HG21 ' A' ' 62' ' ' ILE . 62.6 m-70 73.95 59.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.527 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -117.8 173.9 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.611 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 9.7 ttt180 -133.8 82.75 2.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.439 HG21 HG13 ' A' ' 95' ' ' VAL . 2.1 mt -52.37 130.36 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.29 -41.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.47 150.48 34.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.56 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -139.05 115.97 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 1.9 t-20 62.37 13.98 6.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.07 1.47 55.98 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.08 124.36 37.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.11 122.62 22.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.464 HD12 ' CB ' ' A' ' 85' ' ' ALA . 20.5 mt -127.05 5.39 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 p -55.36 -39.35 69.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -112.7 20.83 16.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.44 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -95.0 177.73 5.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -117.7 170.45 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.56 ' CD2' HG13 ' A' ' 25' ' ' ILE . 58.2 t-80 -51.57 -42.9 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.591 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -52.12 65.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.95 -50.65 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' A' ' 25' ' ' ILE . . . -49.41 -53.69 21.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.2 t -52.57 -56.47 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -51.06 -42.0 60.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.464 ' CB ' HD12 ' A' ' 74' ' ' LEU . . . -56.35 -54.39 46.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 45.5 m-85 -68.83 -25.74 64.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -37.25 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 p -100.48 0.11 39.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -67.26 145.04 55.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -112.74 151.15 30.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.3 mp0 -92.01 141.44 25.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.97 142.75 75.7 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.023 -0.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 12.2 mt -93.93 111.39 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.5 t -83.58 111.17 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.476 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -115.84 151.44 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.3 OUTLIER -134.28 137.77 44.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 60' ' ' LEU . 35.8 m -130.61 164.2 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.469 ' CB ' ' NE2' ' A' ' 96' ' ' GLN . 14.7 p -126.51 129.96 49.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.421 ' CD1' ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -121.99 154.43 37.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -107.1 140.89 39.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.51 148.63 39.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -102.27 116.79 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.493 HD22 ' CA ' ' A' ' 58' ' ' GLY . 36.0 mt -103.34 154.87 18.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.603 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.579 ' HB3' ' CD1' ' A' ' 23' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.487 ' C ' HG11 ' A' ' 49' ' ' VAL . . . 84.25 -55.28 5.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -75.31 -179.02 4.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.771 . . . . 0.0 110.995 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -136.18 161.57 35.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.531 HG13 ' CD2' ' A' ' 79' ' ' HIS . 3.9 pt -128.32 159.85 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 pt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.437 ' C ' ' CD1' ' A' ' 44' ' ' PHE . 12.9 mm -92.87 129.14 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 27.9 m-85 -142.62 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.441 ' CG2' HD23 ' A' ' 60' ' ' LEU . 94.3 t -100.15 119.2 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -114.37 -5.08 12.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.94 146.61 35.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.5 mt -154.15 113.65 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.522 ' CG1' ' HA3' ' A' ' 52' ' ' GLY . 2.1 p -71.54 138.17 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.422 ' N ' HG23 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -68.27 -84.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -24.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.522 ' HA3' ' CG1' ' A' ' 49' ' ' VAL . . . -51.55 157.56 2.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -12.24 21.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.464 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -73.49 -38.22 65.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -94.16 -42.56 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.65 -83.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.9 mm-40 -101.16 -32.17 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.523 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -26.45 -66.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.01 1.03 54.92 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 23' ' ' PHE . 6.0 tp -70.06 168.66 15.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -153.29 128.09 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.542 HG21 ' CD2' ' A' ' 63' ' ' HIS . 3.0 mt -43.2 150.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.542 ' CD2' HG21 ' A' ' 62' ' ' ILE . 36.0 m-70 61.8 49.74 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.571 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -134.28 125.61 28.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.226 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.575 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 41.8 ttt180 -85.96 126.0 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -77.03 132.72 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.418 ' CG1' ' HG2' ' A' ' 96' ' ' GLN . 1.6 mm -99.26 -55.74 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -137.6 154.94 49.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.696 ' CG2' ' CE1' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -141.0 115.56 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.462 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 2.5 t-20 55.35 19.19 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.16 -4.42 52.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -92.52 131.89 37.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.87 129.75 34.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 8.5 mt -124.51 2.92 8.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.0 t -60.21 -39.45 86.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.27 21.01 15.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -99.99 167.92 10.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.2 t -102.83 166.58 10.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.531 ' CD2' HG13 ' A' ' 25' ' ' ILE . 50.9 t-80 -50.65 -41.38 55.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -52.2 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -62.48 -49.09 76.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.473 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -51.58 -50.67 59.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.6 -55.7 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -52.86 -46.6 67.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.41 ' CB ' HD22 ' A' ' 74' ' ' LEU . . . -52.18 -50.41 61.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.696 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 29.5 m-85 -68.45 -25.68 65.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -43.84 56.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 p -87.32 0.21 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.72 154.38 40.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.462 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -128.73 145.62 51.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.6 mp0 -83.64 142.82 43.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.99 134.96 38.29 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.013 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.406 ' N ' ' HA ' ' A' ' 91' ' ' GLU . 26.5 mt -88.46 113.08 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' ASN . 43.0 t -82.6 110.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.488 ' CG1' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -120.28 151.03 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.469 ' NE2' ' CB ' ' A' ' 9' ' ' SER . 8.2 tt0 -134.71 147.92 50.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 23.1 m -131.9 161.13 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.412 ' CB ' HD11 ' A' ' 67' ' ' ILE . 11.6 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mptt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.4 p -127.13 122.25 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -114.28 154.77 27.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.1 140.8 38.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.56 141.04 35.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -99.46 116.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' CG ' HG23 ' A' ' 95' ' ' VAL . 25.1 mt -101.3 155.1 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.477 ' CA ' HG23 ' A' ' 49' ' ' VAL . . . 101.79 43.27 2.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.431 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.9 p90 -174.58 174.08 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.67 170.46 15.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.558 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.0 OUTLIER -132.61 161.39 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.458 ' CG2' HG22 ' A' ' 25' ' ' ILE . 21.1 mm -101.86 120.95 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 24.1 m-85 -137.85 148.64 45.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.8 t -90.0 126.94 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.6 t -119.08 -5.93 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.58 149.25 32.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.7 mt -154.34 116.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.517 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.0 m -70.78 149.66 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.5 OUTLIER -76.06 -90.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.551 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -25.76 -49.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.494 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -32.22 147.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -8.17 19.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.448 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -79.26 -30.54 43.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -94.48 -33.65 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -61.01 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 58' ' ' GLY . 42.4 mt-10 -102.09 -18.24 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 54' ' ' ALA . . . -33.61 -65.88 0.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.09 -10.87 34.1 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.26 169.19 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -163.96 128.65 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.601 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.6 mt -39.55 156.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.601 ' CD2' HG22 ' A' ' 62' ' ' ILE . 9.5 m170 57.63 51.06 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.06 118.97 18.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.578 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 57.9 ttt180 -83.49 116.64 22.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -70.01 136.21 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.473 HD11 ' CD1' ' A' ' 98' ' ' LEU . 1.1 mm -104.61 -48.54 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -144.29 151.86 39.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.602 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.65 117.04 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.459 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 5.4 t-20 57.08 19.96 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.3 -0.56 58.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.572 1.17 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.17 125.89 41.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.59 131.69 41.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 31.6 mt -123.9 0.63 8.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -60.08 -38.75 83.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.83 21.77 15.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -102.36 168.14 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 t -102.98 176.35 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.426 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 25' ' ' ILE . 57.7 t-80 -59.89 -38.4 82.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.557 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -52.16 63.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.78 -51.4 68.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.473 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -50.47 -54.79 19.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.9 t -53.32 -54.96 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.73 -43.04 62.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -56.11 -53.6 55.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.602 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 39.4 m-85 -65.82 -25.06 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -76.73 -49.72 15.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 50.5 p -82.01 -10.52 59.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -62.73 153.32 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -124.57 150.07 46.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.4 mp0 -87.83 143.99 34.29 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.06 132.72 28.51 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.976 -2.51 . . . . 0.0 110.973 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 25.5 mt -85.65 111.83 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 70' ' ' ASN . 40.4 t -82.08 110.13 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.468 ' CG1' ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.95 151.11 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.6 tt0 -135.14 141.78 46.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.432 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 30.7 m -126.46 165.47 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.473 ' CD1' HD11 ' A' ' 67' ' ' ILE . 10.5 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -160.75 105.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -156.44 105.15 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.32 176.21 20.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.98 -61.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 0.727 . . . . 0.0 109.988 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -152.48 170.08 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.973 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.43 179.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.13 154.62 44.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.458 ' C ' ' CD1' ' A' ' 10' ' ' LEU . 84.1 p -117.85 125.98 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -119.4 156.94 29.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -108.82 141.2 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.431 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.413 ' CD2' HG23 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.7 135.73 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.1 117.12 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 33.5 mt -107.99 154.68 21.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -133.64 -179.97 5.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.585 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -123.35 108.14 12.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.05 -36.82 72.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.11 84.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 52.67 36.17 47.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -159.28 96.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -48.84 -35.43 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.95 31.4 4.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -172.71 179.32 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -133.8 157.99 44.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.491 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.4 pt -124.69 160.17 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.495 ' CG2' ' CB ' ' A' ' 46' ' ' SER . 2.6 pt -132.1 164.72 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.21 -178.45 23.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.28 91.74 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.55 136.77 19.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 63.39 5.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -147.65 111.61 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 32' ' ' VAL . 14.1 m -107.59 64.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.88 143.96 54.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -43.71 146.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -65.42 124.67 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.588 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -168.78 -53.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.61 -138.56 5.74 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -43.64 120.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 110.025 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -136.83 170.47 16.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 m 63.01 153.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.049 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -115.38 168.01 10.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.26 153.74 25.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.6 mm -113.29 119.78 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 42.8 m-85 -131.73 162.97 29.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 63' ' ' HIS . 88.9 t -100.06 120.64 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.495 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 17.6 t -107.97 -18.77 13.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.433 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -142.76 157.56 44.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.482 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 14.2 mt -153.21 121.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -76.27 118.3 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.6 -62.23 2.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -17.43 8.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.031 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.04 156.18 52.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.38 12.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.415 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -85.26 -34.63 21.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.482 ' HB1' ' CG2' ' A' ' 48' ' ' ILE . . . -92.12 -28.79 16.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -64.78 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 58' ' ' GLY . 8.3 pt-20 -102.41 -20.56 14.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -33.53 -59.12 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.15 -12.75 63.67 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CD1' HG11 ' A' ' 97' ' ' VAL . 4.4 tp -49.78 174.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.446 ' OE1' ' NH1' ' A' ' 99' ' ' ARG . 0.9 OUTLIER -152.64 118.76 5.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.589 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.7 mm -40.1 137.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.589 ' CD2' HG22 ' A' ' 62' ' ' ILE . 53.7 m-70 67.15 53.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.66 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -128.46 133.56 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.557 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.5 ttt180 -86.88 116.95 25.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.405 HG21 HG11 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -72.49 132.86 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 98' ' ' LEU . 2.0 mm -99.88 -50.75 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.88 154.43 42.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.585 HG23 ' CE1' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.48 116.33 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.429 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 2.2 t-20 59.32 16.38 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.99 -1.24 56.41 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.91 126.1 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.34 128.93 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.407 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 6.4 mt -133.07 10.43 4.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.442 ' OG ' ' NH2' ' A' ' 65' ' ' ARG . 11.8 t -55.92 -40.57 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.048 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -112.89 21.47 15.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -93.62 175.47 6.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.3 t -113.1 168.13 9.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.535 ' CE1' HG21 ' A' ' 83' ' ' VAL . 54.2 t-80 -49.66 -41.41 42.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -52.46 64.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.8 -51.74 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 25' ' ' ILE . . . -50.63 -51.37 49.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.535 HG21 ' CE1' ' A' ' 79' ' ' HIS . 40.2 t -56.39 -55.66 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.37 -44.36 72.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.28 -55.6 29.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.585 ' CE1' HG23 ' A' ' 69' ' ' VAL . 27.2 m-85 -64.46 -25.71 68.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -76.13 -50.38 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.6 p -79.54 -5.21 54.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.27 150.89 48.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 30.2 mmtt -119.9 151.06 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -89.55 141.61 28.82 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.03 144.67 81.66 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.004 0.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.6 mt -96.34 111.29 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -83.81 110.32 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.481 HG12 ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.95 151.28 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -132.39 139.15 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 60' ' ' LEU . 13.9 m -125.71 164.52 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -111.99 107.96 17.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' A' ' 61' ' ' GLN . 8.3 mtm180 -113.6 134.41 54.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -178.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.0 t -47.56 154.99 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -47.6 79.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -118.57 97.11 0.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 125.18 9.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 p 57.27 164.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.29 93.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -145.66 154.89 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.013 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.78 122.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.77 119.72 2.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -84.76 136.93 33.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.87 111.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.94 -121.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.33 149.13 31.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 p -127.02 115.99 20.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 mt -106.74 155.69 19.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -107.82 140.75 40.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.47 137.15 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 11.9 t -100.67 117.15 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.525 ' CD2' ' CA ' ' A' ' 58' ' ' GLY . 48.6 mt -110.13 154.53 23.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -122.1 -174.69 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtm105 -126.44 89.9 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.32 74.09 9.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER 70.43 77.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 37.17 62.88 0.83 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.82 103.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.794 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.1 -32.54 71.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.59 28.69 5.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -170.48 -178.53 2.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 0.757 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -125.01 166.88 15.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.569 HD12 ' CD2' ' A' ' 79' ' ' HIS . 1.1 pt -135.3 150.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 46' ' ' SER . 1.1 pt -135.53 166.52 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.72 -46.21 1.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.66 144.42 30.3 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -165.54 156.35 12.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 75.47 3.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -151.82 139.13 19.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.1 m -124.54 74.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.16 144.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -121.59 -54.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -172.67 -64.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.636 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -148.0 96.55 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.04 -95.77 0.22 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.58 160.27 41.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 t -56.53 144.94 29.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.8 p -115.78 -53.34 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 54.75 172.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -147.18 164.25 28.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.4 mm -124.57 127.33 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 0.776 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.553 ' CE1' ' HG3' ' A' ' 65' ' ' ARG . 28.7 m-85 -137.14 160.7 38.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' HIS . 94.0 t -100.29 129.26 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.47 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 8.8 t -117.38 -38.46 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.52 135.56 55.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 14.4 mt -133.88 123.68 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.7 t -78.15 124.84 37.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -60.05 -76.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -27.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.2 155.16 6.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.3 Cg_endo -75.02 -2.52 12.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -83.53 -39.57 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.14 -41.47 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -51.15 -83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 58' ' ' GLY . 43.1 mt-10 -101.73 -28.07 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.525 ' CA ' ' CD2' ' A' ' 14' ' ' LEU . . . -33.53 -55.51 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' LEU . . . 95.37 -12.16 68.18 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 97' ' ' VAL . 6.2 tp -47.16 172.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -155.18 122.98 5.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.668 ' CG2' ' CD2' ' A' ' 63' ' ' HIS . 1.8 mt -41.64 144.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.668 ' CD2' ' CG2' ' A' ' 62' ' ' ILE . 9.1 m170 63.16 53.3 2.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -128.52 130.19 47.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.553 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 48.3 ttt180 -88.48 113.43 24.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 mt -65.74 141.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.475 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -109.75 -47.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -145.4 152.3 39.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.593 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.26 116.73 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 4.6 t-20 57.7 18.07 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.65 -2.78 55.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.03 124.73 40.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.19 131.08 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 14.7 mt -128.54 5.49 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.365 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 t -51.59 -40.56 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.958 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.77 21.71 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -96.28 168.31 10.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -105.07 172.12 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.569 ' CD2' HD12 ' A' ' 25' ' ' ILE . 58.4 t-80 -53.08 -44.13 67.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.94 -49.62 73.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -61.29 -56.59 18.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.19 -52.43 26.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.449 HG23 ' CE1' ' A' ' 79' ' ' HIS . 26.0 t -52.22 -55.69 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.93 -46.93 84.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.65 -53.55 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.593 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 21.2 m-85 -66.57 -25.6 66.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -76.35 -49.23 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.6 p -80.06 -9.62 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.85 147.55 46.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.3 mmmt -114.59 151.51 33.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -90.85 141.04 26.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.0 146.18 85.95 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.996 -0.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 18.4 mt -97.75 112.73 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' ASN . 45.5 t -83.55 110.54 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.48 HG13 ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.07 151.05 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 5.0 tt0 -133.85 145.05 49.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 60' ' ' LEU . 15.6 m -130.64 165.05 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 67' ' ' ILE . 11.9 mt -112.45 115.05 28.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -114.82 139.54 49.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.33 172.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.0 t -115.7 118.94 34.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.4 m -159.26 -49.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.014 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.72 -156.38 15.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 174.35 12.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.2 p -90.68 142.9 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.97 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t -97.62 90.1 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.6 92.24 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.89 154.88 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.79 175.6 46.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p 58.35 111.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 110.018 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -153.45 93.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.02 178.51 19.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 148.16 24.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.424 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 88.7 p -126.23 122.02 34.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.06 148.3 39.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -102.18 140.8 35.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.65 135.28 34.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.66 117.64 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.545 ' CD2' ' CA ' ' A' ' 58' ' ' GLY . 31.5 mt -110.19 155.28 22.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -126.62 -171.4 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.415 ' NH2' ' HA ' ' A' ' 87' ' ' LYS . 1.4 mtt180 -119.78 109.82 16.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.246 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.63 85.16 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.28 79.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.13 64.67 1.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.01 114.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.88 -27.17 67.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.8 29.35 6.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.32 -174.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.76 162.47 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.418 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.5 pt -127.71 159.83 37.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' ' 46' ' ' SER . 3.4 pt -126.22 163.97 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.15 -153.74 17.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.118 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.41 -128.0 27.01 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.59 163.9 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.82 38.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -151.77 -48.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t 66.75 -75.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.3 OUTLIER -41.15 150.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.7 t30 73.93 113.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -104.49 143.15 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.632 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.92 146.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.32 71.67 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 p -175.31 -69.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.39 163.66 13.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.47 -74.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -133.43 -174.61 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.36 136.28 10.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.6 mm -100.78 119.17 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 60.9 m-85 -137.59 158.06 45.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' HIS . 93.7 t -99.35 121.89 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.414 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 46.6 t -116.2 -1.81 12.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' O ' ' CG1' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -151.38 155.07 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 8.0 mt -155.61 141.72 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.0 t -93.52 127.26 45.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -68.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -14.91 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.82 156.41 43.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.4 Cg_endo -74.96 -2.02 11.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -83.55 -39.39 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.31 -51.33 5.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -41.54 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 58' ' ' GLY . 41.8 mt-10 -101.59 -30.72 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.341 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.545 ' CA ' ' CD2' ' A' ' 14' ' ' LEU . . . -32.29 -61.56 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.97 -12.43 60.7 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.474 ' CD1' HG13 ' A' ' 97' ' ' VAL . 7.7 tp -50.26 172.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -163.24 125.75 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.595 HG23 ' CD2' ' A' ' 63' ' ' HIS . 1.6 mt -39.53 156.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.595 ' CD2' HG23 ' A' ' 62' ' ' ILE . 7.2 m170 57.82 49.19 12.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 7.0 m-20 -131.75 132.44 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 25.4 ttt180 -95.37 118.55 32.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.97 137.85 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.481 HD12 ' CD1' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -105.7 -48.03 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -145.53 152.18 39.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.59 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.36 115.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 3.3 t-20 58.64 16.88 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.8 5.84 54.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.04 128.22 48.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.34 131.37 36.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.429 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 9.4 mt -130.47 7.28 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.9 p -61.07 -38.83 87.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -112.43 18.94 18.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -96.66 174.63 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 t -111.03 174.74 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.418 ' CD2' HG13 ' A' ' 25' ' ' ILE . 55.7 t-80 -57.07 -38.56 73.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -52.0 65.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.77 -47.91 73.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.68 -53.63 49.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.2 t -54.97 -55.57 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -50.91 -47.65 60.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.3 -53.01 49.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.59 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 23.2 m-85 -64.44 -25.84 68.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' HA ' ' NH2' ' A' ' 16' ' ' ARG . 17.0 ttmm -76.73 -49.19 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 p -79.81 -3.27 47.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.16 150.47 43.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.9 mmmt -120.99 150.63 40.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.497 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 3.6 mp0 -87.18 142.02 33.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.99 144.06 79.77 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -0.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.8 mt -97.22 112.32 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.1 t -83.5 110.62 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -116.82 150.86 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 2.3 tt0 -133.7 142.98 48.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.474 HG13 ' CD1' ' A' ' 60' ' ' LEU . 26.0 m -127.52 165.43 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.481 ' CD1' HD12 ' A' ' 67' ' ' ILE . 10.3 mt -113.93 119.9 38.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -124.8 138.23 54.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -172.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.3 t -95.73 126.48 41.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m 57.27 89.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.39 -166.98 3.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.58 42.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.67 -62.44 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.46 166.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 64.95 106.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -63.15 154.94 29.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.56 152.89 21.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.27 141.46 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -82.73 149.98 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.58 120.64 2.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.18 157.96 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.7 p -118.46 120.96 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' CD1' ' CZ ' ' A' ' 99' ' ' ARG . 3.1 mt -112.04 156.94 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.36 140.53 44.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.4 135.03 29.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.28 117.46 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.57 ' CD2' ' CA ' ' A' ' 58' ' ' GLY . 52.5 mt -108.29 153.98 22.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -125.81 171.21 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 mtm105 -114.16 113.56 24.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -105.04 74.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.96 77.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 37.89 61.58 1.12 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.448 1.093 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.36 98.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HG ' ' CD1' ' A' ' 86' ' ' PHE . 4.6 mm? -60.08 -32.94 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.07 30.58 4.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -173.46 -178.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 111.031 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.36 163.52 30.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.548 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.9 pt -128.19 160.76 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.432 ' CG2' ' CB ' ' A' ' 46' ' ' SER . 3.6 pt -126.33 165.15 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.48 -153.44 17.44 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 -98.98 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 65.48 137.2 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 72.08 4.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.8 p -154.96 163.86 39.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 p -176.85 -39.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 43.17 77.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -160.1 119.06 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -93.63 87.55 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -174.58 -60.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.13 99.05 0.8 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.82 166.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.761 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.3 p -156.96 139.33 14.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.69 121.33 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -139.08 176.63 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.61 124.16 4.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.0 mm -92.64 130.58 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CE1' ' HG3' ' A' ' 65' ' ' ARG . 51.8 m-85 -145.57 154.67 42.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' HIS . 95.7 t -95.31 115.98 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.432 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 38.6 t -112.51 -8.56 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -143.38 146.08 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 55' ' ' ALA . 22.9 mt -151.3 126.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 93.9 t -81.56 133.65 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.12 -80.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.87 -27.34 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.14 153.49 3.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.572 1.17 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -2.07 12.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.16 -40.97 15.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . . . -91.25 -28.55 17.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -64.7 -82.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.4 mm-40 -101.45 -26.06 13.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.57 ' CA ' ' CD2' ' A' ' 14' ' ' LEU . . . -35.25 -59.67 0.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.92 4.47 60.2 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 97' ' ' VAL . 8.2 tp -65.05 172.35 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -155.44 125.45 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.545 HG23 ' CG ' ' A' ' 63' ' ' HIS . 4.0 mt -45.38 152.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.545 ' CG ' HG23 ' A' ' 62' ' ' ILE . 39.8 m-70 62.36 45.89 6.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 30.5 m-20 -126.08 138.13 53.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.548 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 18.2 ttt180 -99.37 114.07 26.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.88 140.79 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.488 ' CD1' ' HG ' ' A' ' 98' ' ' LEU . 1.3 mm -108.31 -48.26 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.34 152.37 39.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.616 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -139.82 116.22 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 3.2 t-20 58.15 17.32 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.12 -0.85 56.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.04 126.55 38.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.15 124.23 29.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 10.9 mt -125.35 4.22 7.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 p -52.0 -39.28 59.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -112.5 21.6 15.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -96.94 166.79 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 79' ' ' HIS . 8.7 t -99.93 -174.37 2.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.548 ' CD2' HG13 ' A' ' 25' ' ' ILE . 39.2 t-80 -65.58 -43.24 90.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -48.98 79.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -62.76 -54.38 40.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.38 -54.57 25.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.1 t -52.4 -55.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.23 -46.02 65.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.45 -51.54 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.616 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 22.7 m-85 -67.62 -25.97 66.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -76.79 -38.85 53.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.2 p -93.41 3.12 56.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.62 145.85 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.5 mmmt -110.8 152.92 26.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.2 OUTLIER -93.79 141.36 23.67 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -75.01 142.6 75.25 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.03 -2.487 . . . . 0.0 111.004 0.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 12.2 mt -93.79 113.35 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.0 t -84.94 111.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.478 ' CG1' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -116.2 151.14 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.5 tt0 -134.83 141.05 46.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 60' ' ' LEU . 4.9 m -128.19 164.59 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.488 ' HG ' ' CD1' ' A' ' 67' ' ' ILE . 11.1 mt -108.66 113.72 26.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -125.0 136.85 54.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.437 ' H ' ' NE ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -62.38 -59.81 4.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.2 t 39.61 75.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -167.12 78.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.051 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 164.65 115.81 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 77.53 3.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.4 p -71.94 150.6 43.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 m -156.31 144.59 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.35 124.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.12 140.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.94 168.74 19.8 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.08 91.4 6.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.959 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 t -92.69 166.08 12.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.63 -116.51 9.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -152.22 157.35 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.423 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 64.2 p -131.37 117.58 19.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' N ' HE21 ' A' ' 96' ' ' GLN . 4.9 mt -111.3 153.61 25.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -106.27 141.17 38.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.74 133.93 32.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -101.22 116.41 44.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 12.6 mt -109.08 154.66 21.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -129.31 -178.03 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.578 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -124.53 90.5 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.27 -51.03 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.6 p -165.24 82.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 51.22 41.9 48.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -161.12 110.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.967 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.78 -29.32 69.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.99 29.11 5.34 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.501 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -175.42 179.27 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.982 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -132.58 166.71 21.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 pt -133.14 162.82 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.447 ' CG2' ' CB ' ' A' ' 46' ' ' SER . 3.1 pt -127.44 164.57 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.74 -167.41 14.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.09 -63.76 0.72 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.63 164.09 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -59.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.0 m 61.88 158.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.8 t -121.4 -64.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -88.12 162.93 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.93 -55.6 3.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.35 161.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -44.47 153.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.15 97.58 2.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.93 94.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 m 63.79 128.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' GLU . 2.1 m -167.22 122.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' SER . 4.4 pm0 41.89 -163.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.85 149.07 11.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.5 mm -99.64 124.62 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CZ ' ' HD2' ' A' ' 65' ' ' ARG . 47.1 m-85 -140.67 160.71 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.4 t -101.47 123.32 54.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.447 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 30.3 t -119.0 -5.03 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -148.17 144.03 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 16.1 mt -145.1 124.73 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.5 t -79.79 123.07 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -66.08 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.48 -18.8 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.77 151.45 25.17 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.437 1.086 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.63 12.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.54 -31.46 16.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.63 -38.98 12.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 58' ' ' GLY . 4.2 mm-40 -102.19 -27.48 12.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.38 -65.32 0.23 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.438 1.087 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.58 -14.37 35.46 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.501 ' CD2' ' CD2' ' A' ' 23' ' ' PHE . 8.8 tp -46.22 170.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -161.9 126.27 3.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.559 HG23 ' CD2' ' A' ' 63' ' ' HIS . 2.8 mt -42.2 146.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.559 ' CD2' HG23 ' A' ' 62' ' ' ILE . 41.0 m-70 68.15 41.19 2.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 109.596 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -123.32 125.53 45.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.476 ' HD2' ' CZ ' ' A' ' 44' ' ' PHE . 37.9 ttt180 -86.76 120.33 27.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.88 135.27 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.475 ' CD1' ' HG ' ' A' ' 98' ' ' LEU . 2.5 mm -102.28 -52.14 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -144.06 153.46 42.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.567 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.53 116.37 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.471 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 1.2 t-20 56.16 22.09 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.29 -0.84 62.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 125.06 40.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.356 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -77.46 136.73 38.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 11.3 mt -137.73 13.94 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -64.55 -42.42 95.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.89 21.48 15.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -95.05 167.24 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -99.73 166.01 11.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -50.45 -39.81 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.578 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -52.12 66.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -61.38 -48.13 82.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.44 -56.44 18.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 87' ' ' LYS . 47.3 t -52.07 -53.31 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.59 -48.47 63.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -53.82 -52.07 61.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 69' ' ' VAL . 27.6 m-85 -67.66 -25.81 65.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 83' ' ' VAL . 11.1 ttmm -76.22 -45.39 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.7 p -86.26 -9.35 56.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -60.69 142.91 55.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.471 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -109.53 152.99 24.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.508 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.5 mp0 -91.84 139.92 24.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.97 151.03 96.4 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.045 -0.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 14.5 mt -102.32 110.65 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -83.78 111.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.04 151.81 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.118 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.4 tt0 -133.36 138.44 46.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.48 HG12 ' CD1' ' A' ' 60' ' ' LEU . 11.3 m -126.24 165.36 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.475 ' HG ' ' CD1' ' A' ' 67' ' ' ILE . 14.3 mt -111.52 117.16 32.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -117.95 136.81 53.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.509 ' H ' ' NE ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -39.01 149.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.2 t -53.17 -50.25 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 75.84 113.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -142.82 -172.75 14.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 149.73 36.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.82 153.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.17 163.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.016 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -143.47 154.25 43.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.993 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 p -107.59 158.32 17.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.96 165.42 0.73 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.83 90.01 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m 62.29 81.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.958 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.67 173.69 7.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.33 178.69 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.404 ' CB ' HD12 ' A' ' 98' ' ' LEU . 1.3 p -139.23 122.62 17.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -111.94 157.06 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -106.33 140.24 39.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.99 135.07 32.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.405 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 35.4 t -99.08 116.87 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' CD1' HG21 ' A' ' 95' ' ' VAL . 31.9 mt -108.28 154.26 22.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -128.03 178.33 6.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.562 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.48 ' NE ' ' CD2' ' A' ' 21' ' ' LEU . 8.3 mtp180 -118.18 98.9 6.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.88 82.51 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.87 65.21 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.54 53.76 36.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -163.04 103.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.983 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.48 ' CD2' ' NE ' ' A' ' 16' ' ' ARG . 4.3 mm? -57.04 -32.1 65.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 108.86 21.65 7.36 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.72 -168.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -140.22 172.37 12.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.561 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.8 pt -135.89 165.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 46' ' ' SER . 3.0 pt -123.9 165.09 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.69 -178.43 2.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.07 -178.15 26.51 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -95.44 146.72 31.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.66 21.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 p -177.43 102.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.5 p -137.91 67.18 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.23 93.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 p30 178.39 150.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 23.2 p-80 -57.56 115.91 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.63 168.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.22 -64.44 3.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.95 -78.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.968 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.24 150.81 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 t -171.28 156.08 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 61.72 156.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.62 147.13 16.63 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.412 HD12 ' CA ' ' A' ' 78' ' ' THR . 24.2 mm -105.67 134.53 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 72.7 m-85 -141.31 166.54 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.9 t -109.9 115.88 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.466 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 46.9 t -107.12 -4.74 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.71 153.74 34.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 55' ' ' ALA . 14.4 mt -153.18 118.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' GLY . 55.2 t -69.52 120.94 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -62.06 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -11.96 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.75 156.2 52.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.8 11.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.422 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -84.94 -37.49 20.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.454 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . . . -92.09 -40.34 11.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 58' ' ' GLY . 26.7 mm-40 -102.06 -27.58 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.14 -63.02 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.76 3.13 55.16 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 tp -67.71 167.53 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -151.91 128.68 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.543 HG22 ' CG ' ' A' ' 63' ' ' HIS . 4.4 mt -46.84 153.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.543 ' CG ' HG22 ' A' ' 62' ' ' ILE . 35.8 m-70 60.76 46.28 9.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.644 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 7.4 m-20 -124.8 139.79 53.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 6.6 ttt180 -98.18 116.58 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.35 136.75 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.431 HD11 ' CD1' ' A' ' 98' ' ' LEU . 1.7 mm -103.17 -50.0 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -144.54 153.16 41.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.598 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.3 117.52 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.461 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 3.8 t-20 58.39 17.0 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.07 -0.42 57.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.69 124.75 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -78.11 120.58 23.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.42 HD11 ' CG1' ' A' ' 69' ' ' VAL . 13.6 mt -120.29 -3.64 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.37 -35.99 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -112.82 22.61 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.59 170.42 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.412 ' CA ' HD12 ' A' ' 43' ' ' ILE . 5.5 t -109.07 168.04 9.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.561 ' CD2' HG13 ' A' ' 25' ' ' ILE . 46.2 t-80 -49.4 -45.03 45.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -52.1 63.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -64.16 -50.04 69.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.95 -52.52 24.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.7 t -52.55 -55.84 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.88 -41.61 74.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.92 -53.65 54.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.598 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 30.7 m-85 -67.59 -26.61 66.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -44.02 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.3 p -87.43 -0.13 56.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.59 148.38 48.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.461 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 2.5 mmmt -117.97 151.32 37.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -90.23 140.36 27.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 144.83 82.21 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 17.0 mt -96.59 111.4 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.9 t -83.58 110.9 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -117.42 150.87 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 4.5 tt0 -133.15 146.07 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.409 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 18.1 m -132.1 164.89 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.431 ' CD1' HD11 ' A' ' 67' ' ' ILE . 0.8 OUTLIER -113.49 106.61 14.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.459 ' HB2' ' CD2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -99.26 139.82 34.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.72 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.7 p -70.19 128.23 35.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.67 123.01 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.46 146.85 17.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 138.33 22.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.69 115.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.03 -58.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 57.1 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m -144.26 140.66 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.55 179.54 16.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p -118.6 112.15 19.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.82 172.06 10.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.71 -179.1 10.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -116.21 175.51 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.432 ' CB ' HD12 ' A' ' 98' ' ' LEU . 11.5 p -128.43 126.45 40.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.518 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.67 155.32 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -108.51 139.99 42.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.432 HD13 ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.45 136.83 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.48 117.47 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.586 ' CD2' ' CA ' ' A' ' 58' ' ' GLY . 31.0 mt -110.96 155.61 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -124.87 170.98 10.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.538 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 mtm105 -113.33 86.67 2.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.87 85.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.3 p 57.24 73.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.65 58.91 3.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -170.04 96.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HG ' ' CD1' ' A' ' 86' ' ' PHE . 3.8 mm? -53.81 -34.08 58.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.78 39.4 3.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -178.4 -179.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -122.71 166.69 14.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.526 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.9 pt -139.78 148.91 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.369 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.453 ' CG2' ' HB2' ' A' ' 46' ' ' SER . 0.9 OUTLIER -136.67 166.35 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.59 132.72 7.74 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.09 -49.44 0.34 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -44.19 134.5 4.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 171.61 17.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.3 m -55.5 171.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.2 t -41.1 -61.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.21 94.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 71.42 -65.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 45.21 82.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.82 115.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.24 51.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.91 173.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.76 . . . . 0.0 109.963 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -69.3 174.19 5.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -149.36 76.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -144.81 155.27 43.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.07 -178.05 35.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.8 mm -128.45 125.54 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.609 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 60.2 m-85 -137.4 162.73 32.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.538 ' CG2' ' OD1' ' A' ' 64' ' ' ASP . 73.2 t -103.69 122.61 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.453 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 11.0 t -106.13 -40.24 5.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.81 144.72 48.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 28.0 mt -140.42 121.83 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.89 118.61 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 52' ' ' GLY . 11.1 m-20 -49.81 -83.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t -40.41 -29.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 50' ' ' ASP . . . -48.61 152.19 2.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.2 12.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -84.26 -38.48 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.74 -42.82 9.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -49.46 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 58' ' ' GLY . 12.0 pt-20 -101.93 -28.79 12.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.586 ' CA ' ' CD2' ' A' ' 14' ' ' LEU . . . -32.25 -50.86 0.38 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.68 4.83 75.53 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.492 ' CD1' HG12 ' A' ' 97' ' ' VAL . 7.1 tp -67.99 171.25 7.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.42 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -157.74 126.85 5.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.55 HG21 ' CD2' ' A' ' 63' ' ' HIS . 3.1 mt -40.9 147.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.55 ' CD2' HG21 ' A' ' 62' ' ' ILE . 38.6 m-70 65.54 55.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.538 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -115.6 169.69 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 17.1 ttt180 -132.34 83.54 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.9 mt -50.3 133.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.465 HD12 ' CD2' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -106.96 -40.69 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -148.93 149.18 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.23 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.579 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -138.99 116.51 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 61.69 14.83 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.94 5.25 56.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.46 125.12 43.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.34 121.07 23.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.422 HD12 ' CB ' ' A' ' 85' ' ' ALA . 16.4 mt -123.14 2.28 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -50.23 -38.45 40.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -112.72 21.96 15.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.14 170.88 8.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.4 t -107.44 167.89 9.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.526 ' CD2' HG13 ' A' ' 25' ' ' ILE . 55.1 t-80 -51.0 -41.51 59.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.605 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -52.26 66.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -49.47 73.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.53 -52.36 30.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' HD12 ' A' ' 25' ' ' ILE . 26.0 t -54.61 -55.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -50.58 -47.27 58.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -54.11 -56.83 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.579 ' CZ ' HG22 ' A' ' 69' ' ' VAL . 20.5 m-85 -60.65 -25.62 66.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -51.49 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.8 p -79.26 -4.99 53.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -70.97 149.84 46.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -119.76 151.67 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 3.5 mp0 -88.68 144.0 32.73 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.98 138.5 56.44 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.043 -0.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 14' ' ' LEU . 23.4 mt -91.04 111.88 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.5 t -84.19 110.98 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.469 ' CG1' HG21 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -114.97 151.05 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -133.08 139.05 46.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.492 HG12 ' CD1' ' A' ' 60' ' ' LEU . 11.4 m -128.6 165.23 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -112.78 109.48 18.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.465 ' HB2' ' CD2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -102.15 124.95 48.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.35 134.6 38.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.96 119.66 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.377 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.9 t -171.51 121.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.93 126.32 2.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -175.33 2.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.476 1.777 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.7 p -122.66 140.12 53.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.8 m -118.09 143.12 46.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.14 117.15 24.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.52 99.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.75 57.88 0.71 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 p -46.43 154.99 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 0.796 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -53.28 102.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.959 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.39 -169.18 20.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -130.79 152.53 50.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 p -109.76 117.83 34.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 1.4 mp -106.17 147.97 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -99.98 140.83 33.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD13 ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -144.68 139.6 28.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.484 HG13 ' CE1' ' A' ' 15' ' ' HIS . 24.8 t -99.39 116.33 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 95' ' ' VAL . 74.9 mt -107.07 155.54 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.484 ' CE1' HG13 ' A' ' 13' ' ' VAL . 1.7 m-70 -135.75 167.21 21.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.589 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 16.0 ptt85 -133.35 110.82 10.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' SER . 22.3 t0 -88.7 80.54 7.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER 84.98 61.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.985 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.64 33.26 54.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -132.96 91.33 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.063 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 16' ' ' ARG . 4.4 mm? -58.88 -37.68 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 103.2 29.65 5.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.432 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -171.11 -178.62 2.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 111.016 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.56 -174.2 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.53 ' CD1' ' CB ' ' A' ' 82' ' ' ALA . 3.1 pt -149.84 160.63 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.482 ' CG2' ' CB ' ' A' ' 46' ' ' SER . 2.9 pt -129.34 166.18 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.96 -157.59 14.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.96 65.55 3.5 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.31 136.79 64.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' SER . 18.2 Cg_endo -75.03 56.56 4.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PRO . 3.3 m 39.04 76.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.7 p -44.82 -41.75 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER 171.53 100.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 1.6 m-20 162.51 127.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -85.25 -64.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.615 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 56.54 172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.17 -56.07 27.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 90.3 p -158.39 88.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 110.042 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.2 m -39.79 154.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.961 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.22 147.24 17.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -133.75 -173.99 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.75 160.79 22.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.419 HD13 ' CA ' ' A' ' 78' ' ' THR . 26.2 mm -111.82 128.18 68.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.523 ' CE2' ' HG3' ' A' ' 65' ' ' ARG . 79.1 m-85 -138.31 158.42 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.409 HG22 ' OD2' ' A' ' 64' ' ' ASP . 33.5 t -96.24 124.87 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.482 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 38.7 t -122.72 6.29 9.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.066 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.83 149.59 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.446 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 11.6 mt -153.54 118.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' GLY . 68.0 t -69.32 131.23 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.83 -75.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.36 -21.4 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.4 151.13 6.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -2.25 12.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -89.88 -33.4 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.446 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.58 -19.74 22.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -74.72 -82.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' GLY . 11.7 mm-40 -101.97 -19.26 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -35.7 -65.53 0.45 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.94 3.55 48.78 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.515 ' CD1' ' OD2' ' A' ' 64' ' ' ASP . 9.8 tp -71.35 171.42 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.463 ' CB ' ' NH2' ' A' ' 99' ' ' ARG . 0.9 OUTLIER -158.42 123.01 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.515 HG22 ' CG ' ' A' ' 63' ' ' HIS . 2.7 mt -38.37 152.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.515 ' CG ' HG22 ' A' ' 62' ' ' ILE . 25.4 m-70 65.06 44.73 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.515 ' OD2' ' CD1' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -115.2 143.01 45.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.523 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 9.3 ttt180 -105.51 91.5 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mt -50.44 140.58 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.445 HD13 ' CD2' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -114.1 -44.06 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.97 152.6 37.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.589 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -139.93 117.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 1.8 t-20 55.35 19.79 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.16 -3.35 56.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.84 126.91 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -80.72 129.47 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.407 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 16.0 mt -125.07 2.7 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 t -54.55 -36.82 64.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -112.75 20.8 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -99.9 171.29 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.419 ' CA ' HD13 ' A' ' 43' ' ' ILE . 1.7 p -107.21 -177.25 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.443 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.519 ' CD2' HG13 ' A' ' 25' ' ' ILE . 57.8 t-80 -62.6 -42.79 99.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -52.08 66.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -61.35 -48.38 81.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -52.09 -57.3 9.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.6 t -51.84 -54.4 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -50.44 -46.34 56.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -55.06 -57.24 12.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.589 ' CZ ' HG22 ' A' ' 69' ' ' VAL . 47.6 m-85 -64.27 -25.53 68.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 83' ' ' VAL . 29.5 ttpt -74.14 -49.14 25.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.5 p -84.04 -7.48 59.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -65.98 150.23 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.441 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.4 mmmt -117.59 152.29 35.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -91.0 143.39 28.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 141.61 72.29 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.998 -0.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 22.5 mt -93.18 111.86 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' ASN . 61.4 t -82.99 110.41 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -115.71 150.48 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -128.7 136.14 50.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.488 HG12 ' CD1' ' A' ' 60' ' ' LEU . 5.0 m -124.65 165.16 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' A' ' 67' ' ' ILE . 0.6 OUTLIER -109.36 108.34 18.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.463 ' NH2' ' CB ' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -117.9 136.58 53.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -40.69 -28.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 99' ' ' ARG . 3.1 t -174.66 -48.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.1 p -171.51 -174.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.72 99.2 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.04 37.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.0 t -120.82 -59.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.5 p -43.23 153.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.045 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.94 97.95 6.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -129.67 155.92 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.77 -66.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 m 51.54 85.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.04 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -163.34 -179.86 6.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 100' ' ' ARG . . . -67.31 -104.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -169.02 156.32 7.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -103.73 125.65 50.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -120.35 145.69 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -102.91 140.52 37.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.32 137.23 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.87 116.56 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 32.8 mt -107.83 154.06 22.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -121.33 163.4 18.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 2.7 mtp180 -113.26 112.81 24.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 18' ' ' SER . 11.1 t0 -101.79 57.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 1.4 t 85.03 64.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.18 60.65 3.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -138.03 -46.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.994 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 16' ' ' ARG . 3.8 mm? 70.41 -51.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' SER . . . 105.88 43.23 1.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.409 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -179.19 177.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.08 161.71 36.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.442 HD12 ' CB ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -124.77 157.58 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.97 166.76 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 -171.44 20.65 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 65.72 1.58 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.12 145.13 31.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -62.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER 49.25 81.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t 68.64 -67.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -56.73 114.22 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -76.55 170.96 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.364 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -72.82 104.45 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.614 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -149.11 -61.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.368 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.91 -130.12 1.1 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 p 59.47 165.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.7 m -131.36 144.05 50.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t 170.93 -33.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.2 150.14 14.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.66 134.14 7.64 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.8 mm -101.94 129.88 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 49.3 m-85 -143.81 154.45 43.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' HIS . 95.0 t -96.01 116.21 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.9 t -114.02 -8.42 13.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -140.43 146.64 38.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.482 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 12.5 mt -153.63 116.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.2 t -72.02 117.02 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -53.59 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -13.98 30.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.69 153.67 40.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -89.22 -31.84 17.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.482 ' HB1' ' CG2' ' A' ' 48' ' ' ILE . . . -92.0 -30.99 15.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -61.92 -83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' GLY . 67.3 mt-10 -101.77 -24.83 14.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.01 -63.64 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.977 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.87 2.31 52.28 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 tp -66.2 173.32 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -159.98 123.68 3.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.509 HG22 ' CG ' ' A' ' 63' ' ' HIS . 2.4 mt -40.97 155.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.509 ' CG ' HG22 ' A' ' 62' ' ' ILE . 11.8 m-70 57.2 49.62 13.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 29.6 m-20 -128.39 122.78 32.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 25.3 ttt180 -85.72 106.78 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.01 143.86 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.434 HD12 ' CD2' ' A' ' 98' ' ' LEU . 1.1 mm -110.66 -49.17 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -142.94 152.68 42.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.606 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -141.18 115.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 4.6 t-20 60.32 15.62 5.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.65 -2.98 53.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.49 124.76 38.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 0.736 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.59 128.1 33.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.452 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 8.1 mt -124.32 2.29 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 t -54.69 -39.33 68.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -111.92 21.45 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.62 179.78 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 p -116.1 176.83 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.475 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 60.2 t-80 -60.22 -33.6 72.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.7 -52.07 54.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -66.45 -50.47 63.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' CB ' HD12 ' A' ' 25' ' ' ILE . . . -51.41 -50.08 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 79' ' ' HIS . 37.8 t -57.06 -55.85 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -53.11 -39.09 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -59.04 -55.98 28.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.606 ' CZ ' HG22 ' A' ' 69' ' ' VAL . 26.5 m-85 -65.34 -25.69 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -77.31 -47.07 20.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.1 p -85.81 -3.0 58.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -67.33 148.15 52.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.447 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.8 mmmt -116.14 152.75 33.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 12.2 mt-10 -91.15 141.47 26.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.05 145.02 82.72 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.976 0.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.2 mt -96.68 111.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -83.61 111.13 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.476 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -117.74 150.72 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 6.2 tt0 -135.82 147.26 48.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 15.5 m -135.84 164.73 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.434 ' CD2' HD12 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -110.11 105.73 14.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.369 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -100.18 140.71 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.48 ' HB2' ' CA ' ' A' ' 7' ' ' GLY . 4.5 mmt180 76.3 174.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.423 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.6 t -165.47 70.07 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER 80.01 110.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.035 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.25 155.95 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -178.16 3.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.72 96.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 m -101.12 157.01 17.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.29 107.14 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.65 131.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.03 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.6 135.47 5.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -171.67 -60.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.746 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.11 165.67 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.38 -152.71 13.12 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.16 149.58 40.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.3 p -107.93 128.92 55.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.49 ' CD1' ' HG2' ' A' ' 99' ' ' ARG . 0.4 OUTLIER -126.53 157.37 38.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.75 140.93 43.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.84 136.69 35.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -98.71 116.99 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.9 mt -103.88 154.51 19.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -133.87 166.78 21.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -113.62 93.3 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 18' ' ' SER . 2.5 t0 -85.91 78.35 9.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER 79.76 53.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.035 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.38 54.39 20.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -162.46 89.96 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 0.806 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -47.67 -40.37 19.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.506 ' CA ' HG21 ' A' ' 49' ' ' VAL . . . 101.32 44.57 1.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.7 p90 -178.84 177.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -141.6 165.28 27.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.573 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.5 pt -126.39 162.64 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 46' ' ' SER . 3.4 pt -133.16 161.48 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.1 84.78 1.36 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.14 121.62 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 148.67 69.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.21 8.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 m -70.56 167.63 18.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -104.89 -26.33 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 179.44 -78.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -167.3 -45.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.17 116.65 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.75 148.54 24.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.33 95.31 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 m 62.45 127.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.754 . . . . 0.0 109.998 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.1 p -170.65 130.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.5 m -145.66 112.21 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -110.51 157.71 19.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.82 136.26 6.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.408 ' CG2' HG22 ' A' ' 25' ' ' ILE . 19.5 mm -101.83 118.82 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 56.1 m-85 -133.84 153.24 51.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.478 ' CG1' HG13 ' A' ' 48' ' ' ILE . 77.5 t -90.07 124.31 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.441 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 36.0 t -113.38 -20.74 11.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -134.49 152.88 52.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.478 HG13 ' CG1' ' A' ' 45' ' ' VAL . 3.5 mt -156.86 111.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.53 ' CG2' ' HA3' ' A' ' 52' ' ' GLY . 2.4 m -67.88 149.92 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -78.09 -79.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -34.15 -52.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.53 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -33.38 150.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -11.75 21.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -73.15 -28.89 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -94.19 -38.06 11.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 58' ' ' GLY . 10.9 mt-10 -100.86 -24.43 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -29.79 -57.33 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.85 -12.53 67.18 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 tp -53.74 168.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -165.69 126.71 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.562 HG22 ' CD2' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -41.09 148.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.562 ' CD2' HG22 ' A' ' 62' ' ' ILE . 2.0 m80 68.9 35.4 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' OD1' ' NH2' ' A' ' 99' ' ' ARG . 33.5 m-20 -117.73 119.46 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 42.3 ttt180 -85.66 107.76 17.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.408 HG22 HG13 ' A' ' 95' ' ' VAL . 1.1 mt -63.42 139.27 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 98' ' ' LEU . 1.1 mm -106.29 -46.04 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -147.78 151.64 36.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.59 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.6 118.04 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.514 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 6.7 t-20 57.64 17.36 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.21 -4.28 55.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.46 127.59 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.497 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -78.99 137.82 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 6.5 mt -143.89 24.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 p -68.36 -44.98 74.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -112.42 9.42 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.448 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -75.47 173.34 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 p -101.34 156.66 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.573 ' CD2' HG13 ' A' ' 25' ' ' ILE . 36.0 t-80 -49.29 -26.07 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -46.32 50.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -65.3 -54.89 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.403 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -49.81 -51.95 35.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 79' ' ' HIS . 25.5 t -53.42 -55.7 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -53.27 -44.53 68.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.422 ' CB ' HD13 ' A' ' 74' ' ' LEU . . . -54.09 -54.2 42.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.59 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 31.7 m-85 -64.58 -26.97 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -45.58 39.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 74.7 p -87.71 0.61 55.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -72.7 150.43 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.514 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 4.5 mmmt -121.16 153.67 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 14.3 mt-10 -89.52 142.66 29.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.1 Cg_endo -75.01 140.93 70.07 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.997 0.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 28.3 mt -93.21 111.05 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 70' ' ' ASN . 44.4 t -83.62 109.97 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.455 ' CG1' HG21 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -115.97 150.82 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.8 tt0 -134.56 141.02 46.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 12.5 m -131.12 165.15 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.426 ' CD2' HD11 ' A' ' 67' ' ' ILE . 1.7 mp -117.86 105.58 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.49 ' HG2' ' CD1' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -137.62 140.68 41.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 163.16 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.0 t -73.75 -42.25 61.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -71.45 139.03 49.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -159.46 118.28 0.82 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 175.6 11.03 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.6 p -138.97 169.87 17.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.08 97.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -116.56 -50.09 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.96 122.09 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.73 157.7 23.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -81.78 121.72 26.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -143.14 144.47 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.78 107.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.27 153.41 33.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 p -113.68 115.05 27.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -102.79 146.27 28.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.04 141.06 32.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.54 136.59 31.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.3 t -99.34 116.98 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.523 ' CD2' ' CA ' ' A' ' 58' ' ' GLY . 29.4 mt -107.81 154.6 21.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -121.83 -175.58 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.547 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -130.11 88.95 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.73 73.6 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.05 78.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 38.78 60.18 1.54 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.26 105.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.74 -31.81 73.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.85 33.74 5.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.453 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -176.29 -179.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 111.02 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' N ' ' HE2' ' A' ' 47' ' ' LYS . 1.2 t-20 -135.76 162.86 31.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 79' ' ' HIS . 4.8 pt -129.68 163.06 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 pt -132.51 166.05 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.7 -177.5 24.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.52 121.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.52 134.35 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 102.56 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -171.65 -60.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.9 t -64.3 78.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' SER . 28.1 t70 -178.57 145.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -174.42 85.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -172.89 -66.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.625 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 179.91 92.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.25 -159.43 49.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 61.0 m 57.8 -178.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 0.77 . . . . 0.0 110.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t 172.0 138.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.2 109.18 20.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -146.79 174.34 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.34 167.3 39.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 17.1 mm -110.55 129.31 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 89.7 m-85 -143.59 151.71 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -95.67 124.73 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 t -117.52 -7.17 11.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 109.941 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 23' ' ' PHE . 7.1 ttpt -148.92 145.33 27.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.46 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 36.2 mt -147.94 121.38 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.5 t -69.55 119.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.18 -72.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -18.61 11.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.97 153.97 15.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.3 Cg_endo -74.98 -2.46 12.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.92 -41.37 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HB1' ' CG2' ' A' ' 48' ' ' ILE . . . -90.75 -37.07 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -55.13 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' GLY . 46.6 mt-10 -101.26 -29.64 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.523 ' CA ' ' CD2' ' A' ' 14' ' ' LEU . . . -35.67 -60.11 0.82 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.59 -9.52 58.85 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.487 ' CD1' HG13 ' A' ' 97' ' ' VAL . 10.0 tp -55.36 166.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -156.31 129.89 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.589 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.6 mt -43.35 156.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.589 ' CD2' HG22 ' A' ' 62' ' ' ILE . 10.1 m170 60.42 45.56 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 17.6 m-20 -128.12 133.45 48.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 22.5 ttt180 -98.2 110.9 23.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mt -63.55 140.88 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.42 -44.16 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.451 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -151.4 153.21 34.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.578 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.43 113.58 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 94' ' ' VAL . 3.0 t-20 72.69 -47.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 69' ' ' VAL . . . 160.09 23.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 1.1 mtt180 -115.86 134.41 55.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.43 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 16.3 t0 -71.17 121.17 17.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.475 HD13 ' CG1' ' A' ' 69' ' ' VAL . 6.4 mt -133.25 15.53 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.431 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 3.0 t -65.76 -46.93 76.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -113.26 21.36 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -84.89 169.47 14.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -100.23 170.45 8.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.567 ' CD2' HG13 ' A' ' 25' ' ' ILE . 48.1 t-80 -55.1 -36.46 65.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -49.5 72.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.24 -50.69 67.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.471 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . . . -53.2 -56.19 18.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.2 t -52.89 -54.66 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -50.27 -48.78 54.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -53.23 -54.15 40.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 27.2 m-85 -64.96 -25.62 67.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -76.84 -38.99 52.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.0 p -99.25 7.58 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -72.61 140.07 47.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.465 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 30.3 mmtt -104.09 152.83 21.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 14.7 mt-10 -95.56 140.81 22.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.99 146.27 86.2 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.03 -2.487 . . . . 0.0 111.021 -0.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 9.4 mt -95.99 111.94 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' ASN . 3.8 p -83.54 108.47 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.482 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -112.8 149.16 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -134.91 145.09 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.487 HG13 ' CD1' ' A' ' 60' ' ' LEU . 26.9 m -135.01 162.87 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.18 100.93 10.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -103.41 118.35 36.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.48 169.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -100.76 151.23 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.46 143.5 18.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.04 152.9 17.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 117.85 5.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 90.6 p -79.66 155.81 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.7 p -143.53 -61.73 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.036 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -130.91 150.4 52.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.755 . . . . 0.0 109.988 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -52.96 125.82 18.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.92 -94.87 2.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 6' ' ' SER . 14.5 m -149.09 141.62 24.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 165.37 144.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.926 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.47 155.94 9.91 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -136.12 152.1 50.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.427 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 65.9 p -106.28 132.08 52.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.669 ' N ' HE21 ' A' ' 96' ' ' GLN . 5.4 mt -124.82 157.44 35.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -108.82 140.7 41.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.484 ' CD2' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.8 138.64 39.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 92' ' ' PRO . 0.3 OUTLIER -99.75 117.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 95' ' ' VAL . 73.9 mt -105.61 154.65 20.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -129.34 177.62 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 2.2 mtm105 -123.91 79.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 18' ' ' SER . 6.3 t70 -72.63 67.83 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER 84.62 63.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 40.67 57.34 2.82 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.02 86.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -47.79 -41.24 23.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.475 ' CA ' HG21 ' A' ' 49' ' ' VAL . . . 102.44 43.68 1.96 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.411 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.8 p90 -176.35 173.2 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -130.01 167.37 18.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.549 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.3 pt -128.8 158.79 41.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 46' ' ' SER . 1.3 pt -139.66 158.38 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 29' ' ' ARG . . . 121.47 -131.66 8.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.94 -90.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER 70.08 153.25 0.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.33 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.03 22.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.06 80.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.7 m -118.45 72.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -122.91 122.03 37.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -122.66 94.65 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.84 -62.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -151.33 115.71 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.77 -166.78 30.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.91 113.22 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.4 p -89.51 156.52 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.18 123.5 4.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 pm0 -142.08 157.16 45.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.42 151.17 23.41 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.0 mm -100.52 126.96 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.537 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 72.4 m-85 -138.95 166.82 23.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' HIS . 90.0 t -107.09 130.86 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.461 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 12.6 t -120.47 -38.37 2.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.03 147.35 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.0 mt -154.2 102.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.518 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.3 m -66.81 149.15 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.548 ' O ' ' C ' ' A' ' 51' ' ' SER . 31.1 m-20 -76.08 -88.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 50' ' ' ASP . 2.2 m -26.51 -48.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.494 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -36.76 150.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -8.24 19.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -77.17 -33.13 56.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -93.41 -36.74 12.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 58' ' ' GLY . 40.0 mt-10 -100.97 -25.22 14.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -30.96 -57.39 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.22 -10.72 67.55 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.496 ' CD1' HG11 ' A' ' 97' ' ' VAL . 6.2 tp -52.57 165.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.34 126.9 8.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.499 HG22 ' CG ' ' A' ' 63' ' ' HIS . 2.0 mt -42.84 147.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.499 ' CG ' HG22 ' A' ' 62' ' ' ILE . 27.8 m-70 61.61 50.7 4.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -123.5 134.59 53.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.537 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 17.0 ttt180 -92.99 108.37 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.91 136.49 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.472 ' CD1' HD12 ' A' ' 98' ' ' LEU . 3.5 mm -103.2 -52.1 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -143.65 155.15 44.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.577 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.4 116.44 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 4.2 t-20 55.6 19.83 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.65 -0.67 58.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 124.63 35.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.8 120.71 21.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.467 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 16.8 mt -116.2 -7.02 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.3 t -53.8 -36.55 62.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -112.8 21.56 15.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -104.56 174.4 5.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 p -111.51 173.21 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.549 ' CD2' HG13 ' A' ' 25' ' ' ILE . 37.6 t-80 -55.5 -39.75 70.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.623 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -52.09 66.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.62 -49.02 74.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 1.065 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.456 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -50.15 -51.73 41.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.44 ' CG2' HD11 ' A' ' 25' ' ' ILE . 12.7 t -55.21 -56.23 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -51.34 -42.86 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -56.51 -56.41 21.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.577 ' CZ ' HG22 ' A' ' 69' ' ' VAL . 40.3 m-85 -64.62 -25.45 67.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -42.7 38.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.5 p -90.11 -2.65 58.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -70.33 148.12 48.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.505 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 24.6 mmtt -115.32 151.9 33.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.504 ' OE2' ' CZ ' ' A' ' 16' ' ' ARG . 1.3 mp0 -90.64 141.99 27.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.92 143.66 78.52 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.006 -0.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 18.9 mt -95.15 111.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.69 110.06 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.478 HG12 ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.27 151.5 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.669 HE21 ' N ' ' A' ' 10' ' ' LEU . 1.1 tt0 -130.05 132.04 46.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 60' ' ' LEU . 15.6 m -124.39 165.38 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 67' ' ' ILE . 18.9 mt -112.99 117.42 31.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.49 ' HG3' ' CD1' ' A' ' 10' ' ' LEU . 1.7 mmt-85 -98.41 105.39 17.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.27 147.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.3 t -39.44 132.8 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.8 p -74.26 166.81 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.7 -171.56 42.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.096 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.14 136.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.028 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -119.73 160.43 22.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -170.56 113.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -64.33 152.73 40.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.56 146.01 17.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 45.71 79.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.28 86.68 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.7 -148.17 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.56 150.18 47.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -120.96 118.9 31.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mt -110.46 151.16 27.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -101.55 141.11 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.433 ' CD1' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.45 137.81 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.04 117.03 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' CD2' ' CA ' ' A' ' 58' ' ' GLY . 46.8 mt -109.04 155.68 20.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -130.43 139.98 50.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.496 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 4.1 ppt_? -98.04 98.62 9.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -81.48 106.96 13.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.7 t 52.12 47.63 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.77 43.58 74.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.9 t -149.88 106.88 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 16' ' ' ARG . 1.4 mm? -70.37 -30.61 67.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 102.68 29.22 5.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.408 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -170.1 -169.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.16 163.17 37.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.494 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.3 pt -130.09 162.8 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' CG2' ' CB ' ' A' ' 46' ' ' SER . 3.8 pt -126.8 166.38 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.57 -165.31 13.34 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' CA ' ' OG1' ' A' ' 78' ' ' THR . . . 84.01 -47.72 3.9 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -94.46 160.85 30.82 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 110.233 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 98.13 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.787 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.4 t -141.22 -63.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.956 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.1 63.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.78 -62.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 63.36 161.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -82.19 103.98 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -148.65 136.06 20.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 44.73 -154.75 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.43 71.21 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 t -130.13 -47.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.7 -78.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -118.69 148.15 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.22 149.83 17.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.4 mm -111.88 128.54 68.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 82.2 m-85 -141.74 154.92 45.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.422 HG23 ' OD2' ' A' ' 64' ' ' ASP . 45.8 t -90.54 127.5 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.438 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 47.2 t -123.11 3.78 9.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.952 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.41 148.82 18.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.4 HD13 ' N ' ' A' ' 62' ' ' ILE . 12.9 mt -152.51 117.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' GLY . 22.5 t -71.13 119.54 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.17 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -21.83 12.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.1 147.02 1.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.538 ' HA ' ' CG ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -75.05 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.458 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -91.83 -19.61 22.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.72 -60.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' CG ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -40.28 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.7 mt-10 -90.98 -43.93 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -20.75 -55.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . 89.06 4.15 75.19 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.507 ' CD1' ' OD2' ' A' ' 64' ' ' ASP . 10.2 tp -69.55 170.53 10.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -162.37 126.37 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.57 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.1 mt -38.91 150.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.57 ' CD2' HG22 ' A' ' 62' ' ' ILE . 9.2 m170 68.73 45.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.619 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.507 ' OD2' ' CD1' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -117.34 142.17 47.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 7.0 ttt180 -107.46 89.4 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.6 mt -50.17 135.91 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.425 HD12 ' CD1' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -108.07 -42.49 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.87 152.71 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.59 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -139.91 116.02 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 2.4 t-20 58.15 17.7 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.97 -1.61 55.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.22 129.65 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -81.26 129.29 34.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.442 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 14.0 mt -131.68 11.9 4.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.5 p -58.44 -42.73 88.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -112.32 21.48 15.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.442 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -93.27 171.68 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.404 ' OG1' ' CA ' ' A' ' 28' ' ' GLY . 10.1 t -107.19 166.54 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.42 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.494 ' CD2' HG13 ' A' ' 25' ' ' ILE . 21.7 t-80 -51.25 -38.65 53.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -51.63 67.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -65.32 -47.64 75.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -55.41 -56.84 15.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.3 t -51.84 -51.45 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.8 -45.51 74.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.26 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -53.58 -53.64 48.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.59 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 35.1 m-85 -64.73 -25.59 68.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -77.91 -43.94 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.0 p -87.02 -5.42 59.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -71.67 147.77 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -114.87 152.67 31.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.1 mt-10 -89.81 142.9 29.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.97 145.1 83.0 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -0.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.5 mt -97.85 111.9 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.4 t -83.56 110.33 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.472 ' CG1' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -115.49 151.01 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 3.0 tt0 -129.87 141.9 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.479 HG23 ' CZ ' ' A' ' 99' ' ' ARG . 5.3 m -130.03 164.84 31.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.425 ' CD1' HD12 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -109.28 108.5 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.479 ' CZ ' HG23 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -106.18 132.49 52.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.35 -46.52 13.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.1 t -175.19 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.1 m -146.49 175.34 10.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.83 123.22 0.88 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 171.54 18.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.1 t -146.19 146.4 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.3 -75.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.01 -59.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 110.047 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -83.43 130.08 35.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.15 153.29 24.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 m -155.81 162.8 40.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.91 -67.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.89 -154.09 6.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.38 156.92 36.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 p -115.64 124.71 51.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.82 157.01 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -108.61 140.31 42.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.54 134.6 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 56.9 t -98.69 116.4 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 39.2 mt -108.78 154.76 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -129.35 166.44 19.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.582 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' HG2' ' CD2' ' A' ' 21' ' ' LEU . 5.7 mtm105 -111.24 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.8 t70 -65.67 -11.65 46.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER 157.3 68.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.4 61.61 2.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -146.38 -44.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.737 . . . . 0.0 110.056 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 4.3 mm? 69.19 1.19 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.41 40.23 85.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.123 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -177.49 -175.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 111.042 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.79 -172.96 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.543 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.1 pt -150.93 157.74 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.42 ' CG2' ' HB3' ' A' ' 46' ' ' SER . 3.9 pt -127.17 166.25 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.66 145.1 14.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.39 160.15 8.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -123.53 131.2 24.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 62.65 5.91 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.1 m -57.08 140.87 47.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.941 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.411 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 26.0 m -135.04 76.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.87 116.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 176.09 119.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -125.78 73.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.557 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 176.67 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.59 142.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.4 p -172.65 150.45 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -69.01 168.75 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 m -130.47 113.36 14.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -92.6 176.17 6.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.7 163.67 16.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.5 mm -111.44 128.27 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.596 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 68.5 m-85 -145.21 149.73 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.53 ' CG2' ' OD1' ' A' ' 64' ' ' ASP . 99.5 t -89.92 122.88 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.42 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 43.9 t -118.17 3.83 12.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -154.66 148.05 25.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.474 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 26.2 mt -154.07 125.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.8 t -80.05 120.49 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.083 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.64 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -22.28 4.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.14 151.68 0.82 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -2.25 12.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.76 -33.89 16.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.474 ' HB1' ' CG2' ' A' ' 48' ' ' ILE . . . -91.87 -38.1 12.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 58' ' ' GLY . 42.3 mm-40 -101.78 -27.59 12.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -33.13 -60.89 0.43 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.117 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.37 4.98 59.38 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.494 ' CD1' HG13 ' A' ' 97' ' ' VAL . 9.7 tp -69.65 168.62 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' ILE . 1.1 mt-30 -157.1 123.44 4.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.458 HG22 ' CG ' ' A' ' 63' ' ' HIS . 2.2 mt -37.97 151.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.458 ' CG ' HG22 ' A' ' 62' ' ' ILE . 30.9 m-70 66.12 49.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.53 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -114.0 171.51 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.596 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 13.7 ttt180 -134.96 85.27 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 1.5 mt -50.52 135.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.524 ' CD1' ' O ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -108.37 -42.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -148.19 150.88 34.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 110.258 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.533 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -139.94 117.04 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 3.4 t-20 58.66 16.48 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.29 -1.17 54.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.71 127.35 39.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -82.58 126.29 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.486 HD12 ' CG1' ' A' ' 69' ' ' VAL . 11.3 mt -124.08 1.59 8.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 t -50.32 -38.33 41.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -112.64 21.84 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.7 178.03 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 p -116.25 -177.49 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.543 ' CD2' HG13 ' A' ' 25' ' ' ILE . 31.9 t-80 -64.66 -33.84 76.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.36 -50.79 62.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.91 -46.1 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.69 -52.5 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 79' ' ' HIS . 48.5 t -55.86 -55.13 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -52.02 -40.04 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -56.62 -54.47 45.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.533 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 25.8 m-85 -65.64 -26.43 67.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -75.88 -48.34 21.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.1 p -83.39 -5.88 59.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 85' ' ' ALA . . . -71.09 143.81 50.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.476 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 22.6 mmtm -109.26 154.51 22.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.2 mt-10 -91.44 142.93 27.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.98 146.13 85.82 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.025 -0.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 19.7 mt -97.89 112.35 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.494 HG11 ' O ' ' A' ' 94' ' ' VAL . 7.2 p -84.07 112.17 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.84 147.42 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 2.6 tt0 -131.04 141.04 50.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.494 HG13 ' CD1' ' A' ' 60' ' ' LEU . 30.8 m -129.62 165.07 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.474 ' HG ' ' CD1' ' A' ' 67' ' ' ILE . 13.0 mt -112.27 116.38 30.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.419 ' NH2' ' HB3' ' A' ' 61' ' ' GLN . 3.3 mtt180 -117.12 140.15 49.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -42.85 165.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.43 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 64.7 p -56.91 135.27 55.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.5 t -116.81 -58.19 2.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.8 -159.93 33.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.59 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.7 158.32 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 m 50.15 96.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p 179.13 170.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -82.54 99.04 9.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.99 -96.21 0.86 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.565 1.165 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -172.97 110.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.969 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 56.96 93.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.55 -118.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.105 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.67 156.19 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.483 ' CB ' HD11 ' A' ' 98' ' ' LEU . 41.2 p -114.02 125.24 53.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 99' ' ' ARG . 3.3 mt -117.49 156.44 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -108.77 140.88 41.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.98 133.97 34.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.428 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 66.4 t -98.46 116.9 42.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 95' ' ' VAL . 66.7 mt -103.95 154.27 19.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -132.52 171.96 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.625 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.438 HH21 ' N ' ' A' ' 20' ' ' SER . 7.0 mtp180 -121.49 103.04 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.45 -60.09 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -154.66 70.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.67 51.6 58.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.438 ' N ' HH21 ' A' ' 16' ' ' ARG . 7.3 t -169.42 102.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -51.95 -33.17 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.02 34.21 4.37 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -178.22 -179.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.967 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.33 -176.52 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.472 ' CD1' ' HB1' ' A' ' 82' ' ' ALA . 2.0 pt -150.63 162.64 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 46' ' ' SER . 3.7 pt -129.44 166.41 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.41 -153.9 16.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.45 133.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -91.93 127.31 50.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 62.54 5.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -179.44 149.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 53.6 t -132.93 -49.77 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 60.22 -84.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' VAL . 56.8 t-20 -157.21 115.0 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 42.05 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.12 157.53 46.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.4 54.55 0.1 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.44 79.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.052 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -159.09 -59.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.2 p -172.16 78.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -131.59 156.8 45.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.96 161.91 35.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.9 mm -111.68 120.62 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.598 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 48.5 m-85 -134.59 165.42 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.529 ' CG2' ' OD1' ' A' ' 64' ' ' ASP . 74.7 t -105.56 120.64 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.468 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 40.9 t -114.28 6.85 16.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.89 146.83 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.478 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 53.0 mt -150.31 131.36 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.8 t -79.18 118.05 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -69.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -15.88 14.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.95 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.31 154.36 20.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -2.11 12.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -90.57 -33.19 15.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.478 ' HB1' ' CG2' ' A' ' 48' ' ' ILE . . . -91.58 -32.15 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -60.48 -83.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLY . 7.4 mm-40 -101.93 -24.21 14.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -34.36 -56.87 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.1 -0.05 62.01 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.499 ' CD1' HG12 ' A' ' 97' ' ' VAL . 7.1 tp -65.91 167.82 9.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -159.7 126.82 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.589 HG21 ' CD2' ' A' ' 63' ' ' HIS . 1.3 mt -37.71 153.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.589 ' CD2' HG21 ' A' ' 62' ' ' ILE . 8.9 m170 62.72 51.45 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.585 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.529 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -113.85 168.56 9.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.598 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 7.6 ttt180 -132.24 83.74 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.418 HG23 HG13 ' A' ' 95' ' ' VAL . 1.6 mt -50.48 125.45 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.476 ' CD1' HD13 ' A' ' 98' ' ' LEU . 1.4 mm -98.55 -45.33 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -149.91 154.32 38.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.577 ' CG2' ' CE1' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -138.62 113.1 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 72.77 -50.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.81 24.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -116.05 123.89 49.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.84 113.24 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 9.7 mt -115.81 0.6 13.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -63.1 -41.04 99.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -112.68 22.34 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -96.05 177.28 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -115.9 166.25 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.443 ' CD2' HG13 ' A' ' 25' ' ' ILE . 56.5 t-80 -49.79 -38.62 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -52.79 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -67.05 -47.56 70.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HB1' ' CD1' ' A' ' 25' ' ' ILE . . . -50.43 -48.18 56.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.7 t -60.26 -55.49 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -50.23 -40.57 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.442 ' CB ' HD12 ' A' ' 74' ' ' LEU . . . -57.56 -56.4 22.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.577 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 33.7 m-85 -65.75 -26.04 67.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -38.57 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.1 p -100.68 6.8 44.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.372 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -72.56 145.57 47.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -115.54 150.79 36.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.5 mp0 -91.13 144.23 29.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.04 134.11 34.45 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.013 0.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.428 ' N ' ' HA ' ' A' ' 91' ' ' GLU . 16.0 mt -85.4 110.01 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -86.2 110.66 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -115.63 151.02 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -131.73 136.68 47.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.499 HG12 ' CD1' ' A' ' 60' ' ' LEU . 17.1 m -130.65 162.0 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.483 HD11 ' CB ' ' A' ' 9' ' ' SER . 4.5 mp -113.93 105.0 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.504 ' HG2' ' CD1' ' A' ' 10' ' ' LEU . 6.7 ptp180 -130.56 140.15 50.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 171.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -94.68 139.7 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.458 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.0 t -167.69 154.62 8.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.78 103.03 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.96 -65.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.2 m -56.94 124.7 19.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 p -89.24 133.29 34.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.94 80.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.26 61.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -106.77 93.6 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.65 84.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.39 -140.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.29 155.15 46.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 p -115.28 116.39 28.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.559 ' CD1' ' HG3' ' A' ' 99' ' ' ARG . 15.7 mt -105.79 153.61 21.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.31 140.45 38.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.49 133.02 28.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -98.69 116.67 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 39.1 mt -105.66 154.62 20.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -121.39 175.75 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.568 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' NH1' ' O ' ' A' ' 89' ' ' ALA . 5.6 mtm-85 -127.34 87.97 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -67.43 -8.95 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 3.0 t 159.31 61.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.05 48.21 14.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.463 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 4.1 m -126.76 -37.85 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 20' ' ' SER . 2.8 mm? 70.9 -51.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.557 ' CA ' HG12 ' A' ' 49' ' ' VAL . . . 102.22 50.95 1.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.455 ' HB3' ' O ' ' A' ' 22' ' ' GLY . 1.4 p90 178.51 172.9 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 0.721 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -132.7 159.58 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.577 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.4 pt -125.94 159.88 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.453 ' CG2' ' HB2' ' A' ' 46' ' ' SER . 2.0 pt -134.92 159.34 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.96 109.61 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.46 120.55 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -124.59 154.64 69.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 78.75 2.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.34 174.48 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.8 -59.66 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.33 151.77 3.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -135.23 168.24 19.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 56.27 77.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -163.74 127.97 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.58 -66.31 2.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 m -47.53 133.93 12.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.34 100.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -149.0 114.95 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -40.73 158.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.92 137.52 9.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.2 mm -100.63 119.54 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -138.02 150.15 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.2 t -92.21 125.2 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.453 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 20.9 t -113.13 -25.9 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 48' ' ' ILE . 1.1 tmtp? -127.56 152.55 47.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.411 ' N ' ' HD3' ' A' ' 47' ' ' LYS . 3.3 mt -156.13 102.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.557 HG12 ' CA ' ' A' ' 22' ' ' GLY . 4.1 p -63.59 149.01 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.28 -66.9 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.2 t -44.14 -47.58 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.553 ' HA3' ' CG1' ' A' ' 49' ' ' VAL . . . -35.73 147.89 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -7.0 18.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.434 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -80.12 -32.1 39.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -92.13 -27.52 17.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -66.44 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.1 pt-20 -100.71 -26.49 13.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.454 ' CA ' ' CD2' ' A' ' 14' ' ' LEU . . . -34.07 -55.22 0.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.57 4.39 73.33 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 97' ' ' VAL . 11.0 tp -65.91 158.97 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 62' ' ' ILE . 2.3 tt0 -147.18 123.49 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.553 HG21 ' CD2' ' A' ' 63' ' ' HIS . 1.1 mt -40.16 154.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.553 ' CD2' HG21 ' A' ' 62' ' ' ILE . 0.8 OUTLIER 62.67 38.55 11.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 13.0 m-20 -117.38 125.78 51.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -89.5 103.83 16.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.236 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mt -57.48 142.49 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.438 HD11 ' CD2' ' A' ' 98' ' ' LEU . 1.6 mm -110.24 -48.8 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -145.84 152.63 39.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.57 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.55 117.73 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.564 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 3.6 t-20 56.84 18.04 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.8 -3.11 55.85 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.15 126.82 39.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' OD2' ' OE1' ' A' ' 68' ' ' GLU . 7.4 t70 -80.03 135.31 36.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.456 HD13 ' CG1' ' A' ' 69' ' ' VAL . 12.8 mt -132.93 9.24 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.7 p -60.47 -40.36 90.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 20.58 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.435 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -95.91 177.55 5.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.4 t -114.99 164.31 14.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.577 ' CD2' HG13 ' A' ' 25' ' ' ILE . 49.1 t-80 -49.41 -35.44 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -52.13 62.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -66.39 -47.79 72.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.413 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -51.01 -55.11 19.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.441 HG21 ' CE1' ' A' ' 79' ' ' HIS . 33.7 t -52.84 -55.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -51.14 -46.55 62.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -53.76 -52.84 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 27.3 m-85 -67.09 -26.08 66.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -75.93 -42.15 49.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -88.14 -12.05 45.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -58.09 150.71 20.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.564 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -118.75 152.83 35.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -91.99 139.88 24.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -75.01 143.43 77.77 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.001 0.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.455 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 15.0 mt -95.62 111.51 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.7 OUTLIER -83.61 112.9 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.472 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -118.47 150.15 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -133.66 136.77 44.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 60' ' ' LEU . 22.0 m -127.7 165.76 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.438 ' CD2' HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -105.07 101.12 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 10' ' ' LEU . 1.9 mmm-85 -99.44 137.89 37.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -69.59 -56.47 7.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.0 t -166.13 160.79 16.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 m 63.42 159.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 158.39 73.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -57.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.5 m 68.01 93.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.8 m -102.91 163.2 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -92.48 82.13 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.742 . . . . 0.0 109.962 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -161.32 166.78 26.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.84 -178.13 33.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -65.57 102.21 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.04 156.57 29.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.016 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.24 -156.42 13.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.36 155.75 46.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.472 ' CB ' HD13 ' A' ' 98' ' ' LEU . 4.2 p -114.03 120.29 40.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.053 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.573 ' CD2' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -106.2 158.11 17.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -106.75 140.61 39.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.71 134.5 32.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -100.05 117.03 44.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.593 ' CD2' ' CA ' ' A' ' 58' ' ' GLY . 27.5 mt -108.98 154.91 21.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -125.98 166.33 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.629 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.459 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 7.3 mtm105 -116.13 90.6 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.38 -17.68 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.55 55.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 53.81 40.98 65.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 25.7 m -122.11 -37.49 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.792 . . . . 0.0 109.96 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 20' ' ' SER . 2.1 mm? 71.83 -46.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 20' ' ' SER . . . 102.98 44.32 1.78 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 111.047 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -177.44 177.52 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 0.776 . . . . 0.0 110.949 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -134.73 154.86 51.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.404 ' CD1' HG22 ' A' ' 83' ' ' VAL . 2.6 pt -123.97 154.04 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 46' ' ' SER . 2.8 pt -132.75 165.09 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.2 100.32 1.03 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.93 132.04 1.75 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.24 155.99 77.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.784 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 122.57 7.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.2 p -115.9 164.55 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.0 t -145.2 -58.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -58.03 127.83 34.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -77.82 96.32 4.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -174.09 119.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.635 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.06 -56.03 4.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.36 -123.71 16.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.5 p -76.6 149.89 36.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -61.15 123.14 16.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -121.25 133.16 55.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 60.55 163.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.72 176.22 23.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.4 mm -121.08 121.98 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 0.778 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.51 ' CE2' ' HG3' ' A' ' 65' ' ' ARG . 78.7 m-85 -137.75 153.39 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' HG13 ' A' ' 48' ' ' ILE . 93.8 t -93.31 113.5 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.463 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 9.6 t -98.84 -40.85 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 155.32 32.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.471 HG13 ' CG1' ' A' ' 45' ' ' VAL . 4.3 mt -151.92 108.74 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 43.1 t -64.18 128.03 25.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.66 -70.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.49 -19.03 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.85 152.95 16.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.0 13.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -90.28 -34.88 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -91.95 -27.2 18.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -66.2 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' GLY . 6.3 mm-40 -101.19 -25.07 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.593 ' CA ' ' CD2' ' A' ' 14' ' ' LEU . . . -34.92 -55.39 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.59 6.0 66.32 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CD1' HG11 ' A' ' 97' ' ' VAL . 7.3 tp -67.15 172.77 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -158.1 130.98 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 63' ' ' HIS . 1.8 mt -47.55 156.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.586 ' CD2' HG21 ' A' ' 62' ' ' ILE . 10.0 m170 58.01 47.69 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 40.8 m-20 -125.82 139.47 53.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.51 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 17.8 ttt180 -101.01 107.49 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.1 132.45 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 98' ' ' LEU . 2.8 mm -96.13 -47.07 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -155.11 154.85 33.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -139.93 113.59 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 74.13 -50.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 162.94 23.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 5.4 mtt180 -116.2 124.78 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -62.86 110.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.485 HD12 ' CB ' ' A' ' 85' ' ' ALA . 7.6 mt -114.05 8.42 17.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.7 p -66.73 -47.67 71.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -113.25 21.69 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -87.19 179.05 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 p -113.26 163.19 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.504 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 51.2 t-80 -50.5 -30.63 13.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.56 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -52.08 42.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.76 -49.53 70.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.8 -56.26 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 79' ' ' HIS . 52.4 t -52.13 -54.11 15.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -55.6 -41.33 73.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.485 ' CB ' HD12 ' A' ' 74' ' ' LEU . . . -58.51 -52.61 64.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CE1' HG21 ' A' ' 69' ' ' VAL . 21.2 m-85 -66.36 -24.97 66.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -50.63 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.0 p -80.77 -12.75 59.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -56.95 140.16 49.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -107.05 153.09 23.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 13.2 mt-10 -92.83 141.07 23.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.98 145.26 83.46 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.049 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 11.7 mt -96.27 111.67 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.2 t -83.85 110.65 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.497 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -115.67 150.44 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.8 OUTLIER -131.76 139.87 49.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.456 HG11 ' CD1' ' A' ' 60' ' ' LEU . 4.6 m -130.48 163.82 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -111.91 110.19 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.573 ' CG ' ' CD2' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -109.03 131.94 54.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -178.31 5.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 t -102.17 57.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.447 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.42 159.74 42.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 126.92 173.94 13.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 t -48.8 150.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.94 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.83 103.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.572 1.17 . . . . 0.0 111.035 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -132.27 156.81 45.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.737 . . . . 0.0 110.009 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t 57.9 168.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.27 158.57 24.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.567 1.167 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m 60.54 115.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.757 . . . . 0.0 109.973 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -152.8 160.89 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.016 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.7 -150.29 5.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.67 156.19 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 p -114.63 116.42 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 1.4 mp -105.35 150.16 25.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -101.65 140.81 35.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD11 ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -136.34 135.53 38.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 52.8 t -99.42 116.41 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 33.5 mt -99.59 154.27 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -137.74 -178.66 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -133.73 104.35 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -33.95 62.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -167.23 68.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 49.57 35.0 21.5 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -146.57 89.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -43.15 -38.73 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.505 ' CA ' HG21 ' A' ' 49' ' ' VAL . . . 96.29 46.49 2.57 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.6 174.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -133.3 171.31 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 79' ' ' HIS . 0.7 OUTLIER -134.22 155.45 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 pt -129.93 163.29 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.5 143.07 11.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.51 -172.21 21.3 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.33 144.82 0.23 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 135.97 19.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.78 -73.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.2 t 46.49 55.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -40.96 -67.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -167.11 97.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.72 178.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 59.41 158.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.99 108.07 1.98 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 p -59.68 170.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.767 . . . . 0.0 109.967 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 40' ' ' SER . 12.4 m -114.61 128.9 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.6 OUTLIER 160.29 -179.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 64.67 163.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.87 154.35 20.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.137 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.8 mm -113.95 120.41 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.611 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 25.7 m-85 -135.72 168.88 18.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.527 ' CG2' ' OD1' ' A' ' 64' ' ' ASP . 56.4 t -107.0 126.81 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -121.68 -6.56 9.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' C ' HD11 ' A' ' 62' ' ' ILE . 4.9 tttp -144.97 137.47 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.492 HG13 ' CG1' ' A' ' 45' ' ' VAL . 3.4 mt -146.47 112.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.539 ' CG2' ' HA3' ' A' ' 52' ' ' GLY . 1.8 m -71.96 149.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.562 ' O ' ' C ' ' A' ' 51' ' ' SER . 41.3 m-20 -73.62 -92.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.562 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -25.5 -50.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.539 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -33.09 144.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.439 ' HA ' ' CG ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -75.0 -3.53 14.06 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -84.34 -21.38 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -92.67 -60.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -52.21 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.626 ' O ' ' C ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -74.62 -58.03 3.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.626 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -12.59 -65.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . 97.06 -1.43 60.93 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.484 ' CD1' HG12 ' A' ' 97' ' ' VAL . 7.6 tp -64.33 168.54 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.63 133.01 14.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 63' ' ' HIS . 4.9 mm -47.36 135.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.597 ' CD2' HG21 ' A' ' 62' ' ' ILE . 62.6 m-70 73.95 59.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.527 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -117.8 173.9 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.611 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 9.7 ttt180 -133.8 82.75 2.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.439 HG21 HG13 ' A' ' 95' ' ' VAL . 2.1 mt -52.37 130.36 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.29 -41.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.47 150.48 34.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.56 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -139.05 115.97 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 1.9 t-20 62.37 13.98 6.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.07 1.47 55.98 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.08 124.36 37.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.11 122.62 22.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.464 HD12 ' CB ' ' A' ' 85' ' ' ALA . 20.5 mt -127.05 5.39 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 p -55.36 -39.35 69.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -112.7 20.83 16.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.44 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -95.0 177.73 5.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -117.7 170.45 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.56 ' CD2' HG13 ' A' ' 25' ' ' ILE . 58.2 t-80 -51.57 -42.9 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.591 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -52.12 65.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.95 -50.65 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' A' ' 25' ' ' ILE . . . -49.41 -53.69 21.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.2 t -52.57 -56.47 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -51.06 -42.0 60.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.464 ' CB ' HD12 ' A' ' 74' ' ' LEU . . . -56.35 -54.39 46.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 45.5 m-85 -68.83 -25.74 64.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -37.25 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 p -100.48 0.11 39.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -67.26 145.04 55.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -112.74 151.15 30.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.3 mp0 -92.01 141.44 25.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.97 142.75 75.7 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.023 -0.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 12.2 mt -93.93 111.39 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.5 t -83.58 111.17 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.476 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -115.84 151.44 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.3 OUTLIER -134.28 137.77 44.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 60' ' ' LEU . 35.8 m -130.61 164.2 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.65 104.75 14.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -103.19 139.56 38.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 167.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 78.6 p -56.43 176.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -87.23 135.72 33.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -136.25 167.61 24.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 90.43 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.8 p 178.19 153.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.0 p -78.61 129.5 34.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -114.64 109.12 17.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.36 156.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.31 120.65 5.38 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -121.5 124.67 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -101.5 97.94 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.99 -158.32 21.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -126.11 153.11 45.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.469 ' CB ' ' NE2' ' A' ' 96' ' ' GLN . 14.7 p -126.51 129.96 49.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -121.99 154.43 37.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -107.1 140.89 39.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.51 148.63 39.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -102.27 116.79 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.493 HD22 ' CA ' ' A' ' 58' ' ' GLY . 36.0 mt -103.34 154.87 18.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -141.85 164.5 30.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.603 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -130.06 105.56 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.86 -57.12 12.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 m -138.21 86.96 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 40.46 38.11 1.36 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 m -151.68 118.46 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.995 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.579 ' HB3' ' CD1' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -69.67 -7.95 43.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.487 ' C ' HG11 ' A' ' 49' ' ' VAL . . . 84.25 -55.28 5.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -75.31 -179.02 4.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.771 . . . . 0.0 110.995 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -136.18 161.57 35.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.531 HG13 ' CD2' ' A' ' 79' ' ' HIS . 3.9 pt -128.32 159.85 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 pt -125.88 165.96 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.27 -161.29 14.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.68 164.52 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.16 128.62 20.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 63.59 6.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -140.35 143.81 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.96 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 p -128.77 58.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.2 -63.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -172.29 -58.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 167.96 1.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 67.59 154.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.03 -119.16 0.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.15 -66.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.7 81.15 2.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 p 178.36 102.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ALA . 3.8 tt0 174.74 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.37 124.64 6.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.437 ' C ' ' CD1' ' A' ' 44' ' ' PHE . 12.9 mm -92.87 129.14 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 27.9 m-85 -142.62 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.441 ' CG2' HD23 ' A' ' 60' ' ' LEU . 94.3 t -100.15 119.2 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -114.37 -5.08 12.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.94 146.61 35.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.5 mt -154.15 113.65 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.522 ' CG1' ' HA3' ' A' ' 52' ' ' GLY . 2.1 p -71.54 138.17 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.422 ' N ' HG23 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -68.27 -84.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -24.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.522 ' HA3' ' CG1' ' A' ' 49' ' ' VAL . . . -51.55 157.56 2.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -12.24 21.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.464 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -73.49 -38.22 65.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -94.16 -42.56 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.65 -83.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.9 mm-40 -101.16 -32.17 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.523 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -26.45 -66.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.01 1.03 54.92 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 23' ' ' PHE . 6.0 tp -70.06 168.66 15.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -153.29 128.09 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.542 HG21 ' CD2' ' A' ' 63' ' ' HIS . 3.0 mt -43.2 150.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.542 ' CD2' HG21 ' A' ' 62' ' ' ILE . 36.0 m-70 61.8 49.74 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.571 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -134.28 125.61 28.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.226 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.575 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 41.8 ttt180 -85.96 126.0 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -77.03 132.72 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.418 ' CG1' ' HG2' ' A' ' 96' ' ' GLN . 1.6 mm -99.26 -55.74 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -137.6 154.94 49.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.696 ' CG2' ' CE1' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -141.0 115.56 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 2.5 t-20 55.35 19.19 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.16 -4.42 52.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -92.52 131.89 37.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.87 129.75 34.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 8.5 mt -124.51 2.92 8.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.0 t -60.21 -39.45 86.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.27 21.01 15.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -99.99 167.92 10.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.2 t -102.83 166.58 10.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.531 ' CD2' HG13 ' A' ' 25' ' ' ILE . 50.9 t-80 -50.65 -41.38 55.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -52.2 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -62.48 -49.09 76.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -51.58 -50.67 59.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.6 -55.7 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -52.86 -46.6 67.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' CB ' HD22 ' A' ' 74' ' ' LEU . . . -52.18 -50.41 61.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.696 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 29.5 m-85 -68.45 -25.68 65.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -43.84 56.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 p -87.32 0.21 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.72 154.38 40.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -128.73 145.62 51.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.6 mp0 -83.64 142.82 43.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.99 134.96 38.29 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.013 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.406 ' N ' ' HA ' ' A' ' 91' ' ' GLU . 26.5 mt -88.46 113.08 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' ASN . 43.0 t -82.6 110.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.488 ' CG1' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -120.28 151.03 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.469 ' NE2' ' CB ' ' A' ' 9' ' ' SER . 8.2 tt0 -134.71 147.92 50.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 23.1 m -131.9 161.13 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.412 ' CB ' HD11 ' A' ' 67' ' ' ILE . 11.6 mt -106.52 112.26 25.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.455 ' HB2' ' CD2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -107.35 137.67 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.21 171.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -55.09 134.82 49.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.8 p -95.75 164.82 12.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.92 -145.57 4.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.085 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.05 14.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.1 t -112.89 166.17 11.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 m -170.28 118.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.05 146.55 49.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 62.38 147.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.25 118.78 2.97 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t -41.15 151.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.06 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 p -106.35 151.68 24.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.38 -156.72 28.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -141.79 153.18 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.4 p -127.13 122.25 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -114.28 154.77 27.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.1 140.8 38.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.56 141.04 35.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -99.46 116.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' CG ' HG23 ' A' ' 95' ' ' VAL . 25.1 mt -101.3 155.1 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -138.3 134.06 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' CB ' HD21 ' A' ' 21' ' ' LEU . 1.2 ptt180 -98.22 83.42 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.22 88.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.91 69.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 44.0 55.83 5.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.76 87.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.521 HD21 ' CB ' ' A' ' 16' ' ' ARG . 1.9 mm? -61.78 -39.53 92.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.477 ' CA ' HG23 ' A' ' 49' ' ' VAL . . . 101.79 43.27 2.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.431 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.9 p90 -174.58 174.08 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.67 170.46 15.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.558 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.0 OUTLIER -132.61 161.39 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.3 pt -126.69 162.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.58 -151.5 17.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.76 149.62 0.81 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -138.3 159.38 68.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.44 14.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.512 1.796 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.1 p -116.67 118.52 32.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.1 m -124.45 62.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.12 155.71 49.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -76.8 163.14 27.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.9 m80 68.85 -78.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -162.38 131.02 4.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.42 101.66 0.79 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.15 118.9 2.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -93.41 -61.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.81 118.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -125.76 162.86 24.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.99 133.07 8.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.458 ' CG2' HG22 ' A' ' 25' ' ' ILE . 21.1 mm -101.86 120.95 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 24.1 m-85 -137.85 148.64 45.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.8 t -90.0 126.94 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.6 t -119.08 -5.93 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.58 149.25 32.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.7 mt -154.34 116.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.517 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.0 m -70.78 149.66 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.5 OUTLIER -76.06 -90.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.551 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -25.76 -49.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.494 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -32.22 147.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -8.17 19.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.448 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -79.26 -30.54 43.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -94.48 -33.65 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -61.01 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 58' ' ' GLY . 42.4 mt-10 -102.09 -18.24 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 54' ' ' ALA . . . -33.61 -65.88 0.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.09 -10.87 34.1 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.26 169.19 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -163.96 128.65 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.601 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.6 mt -39.55 156.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.601 ' CD2' HG22 ' A' ' 62' ' ' ILE . 9.5 m170 57.63 51.06 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.06 118.97 18.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.578 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 57.9 ttt180 -83.49 116.64 22.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -70.01 136.21 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.473 HD11 ' CD1' ' A' ' 98' ' ' LEU . 1.1 mm -104.61 -48.54 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -144.29 151.86 39.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.602 HG23 ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -140.65 117.04 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.459 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 5.4 t-20 57.08 19.96 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.3 -0.56 58.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.572 1.17 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.17 125.89 41.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.59 131.69 41.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 31.6 mt -123.9 0.63 8.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -60.08 -38.75 83.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.83 21.77 15.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -102.36 168.14 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 t -102.98 176.35 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.426 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 25' ' ' ILE . 57.7 t-80 -59.89 -38.4 82.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.557 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -52.16 63.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.78 -51.4 68.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -50.47 -54.79 19.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.9 t -53.32 -54.96 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.73 -43.04 62.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -56.11 -53.6 55.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.602 ' CZ ' HG23 ' A' ' 69' ' ' VAL . 39.4 m-85 -65.82 -25.06 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -76.73 -49.72 15.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 50.5 p -82.01 -10.52 59.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -62.73 153.32 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.459 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -124.57 150.07 46.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.4 mp0 -87.83 143.99 34.29 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.06 132.72 28.51 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.976 -2.51 . . . . 0.0 110.973 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 25.5 mt -85.65 111.83 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 70' ' ' ASN . 40.4 t -82.08 110.13 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.468 ' CG1' ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.95 151.11 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.6 tt0 -135.14 141.78 46.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.432 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 30.7 m -126.46 165.47 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.473 ' CD1' HD11 ' A' ' 67' ' ' ILE . 10.5 mt -113.82 118.47 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 100' ' ' ARG . 11.3 mtt180 -127.54 138.57 52.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -44.48 168.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.2 p -63.98 152.77 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.72 157.74 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 166.28 179.23 39.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 143.23 29.02 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.3 t -156.8 124.51 5.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.73 158.64 0.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.977 ' C ' HD13 ' A' ' 10' ' ' LEU . 84.1 p -117.85 125.98 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.977 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -119.4 156.94 29.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -108.82 141.2 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.431 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.509 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.7 135.73 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.1 117.12 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.615 HD23 ' HA2' ' A' ' 58' ' ' GLY . 33.5 mt -107.99 154.68 21.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.585 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.95 31.4 4.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -172.71 179.32 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -133.8 157.99 44.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' A' ' 82' ' ' ALA . 1.4 pt -124.69 160.17 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.679 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.6 pt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.427 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.501 HD11 ' O ' ' A' ' 77' ' ' ALA . 24.6 mm -113.29 119.78 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 42.8 m-85 -131.73 162.97 29.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.656 HG21 HD21 ' A' ' 60' ' ' LEU . 88.9 t -100.06 120.64 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.679 ' HB2' HG21 ' A' ' 26' ' ' ILE . 17.6 t -107.97 -18.77 13.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -142.76 157.56 44.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 55' ' ' ALA . 14.2 mt -153.21 121.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -76.27 118.3 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.6 -62.23 2.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -17.43 8.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.031 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.04 156.18 52.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.38 12.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.415 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -85.26 -34.63 21.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 48' ' ' ILE . . . -92.12 -28.79 16.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -64.78 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 58' ' ' GLY . 8.3 pt-20 -102.41 -20.56 14.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.615 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -33.53 -59.12 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.15 -12.75 63.67 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD21 HG21 ' A' ' 45' ' ' VAL . 4.4 tp -49.78 174.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -152.64 118.76 5.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 48' ' ' ILE . 1.7 mm -40.1 137.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 45' ' ' VAL . 31.3 m170 67.15 53.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.66 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -128.46 133.56 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.558 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.5 ttt180 -86.88 116.95 25.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.49 132.86 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.792 HG13 HD13 ' A' ' 98' ' ' LEU . 2.0 mm -99.88 -50.75 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -144.88 154.43 42.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.049 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.48 116.33 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.32 16.38 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.99 -1.24 56.41 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.91 126.1 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.601 ' O ' HD23 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -78.34 128.93 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 73' ' ' ASP . 6.4 mt -133.07 10.43 4.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.442 ' OG ' ' NH2' ' A' ' 65' ' ' ARG . 11.8 t -55.92 -40.57 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.048 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -112.89 21.47 15.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.501 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -93.62 175.47 6.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.3 t -113.1 168.13 9.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.541 ' O ' HG23 ' A' ' 83' ' ' VAL . 51.2 t60 -49.66 -41.41 42.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -52.46 64.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.8 -51.74 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' A' ' 25' ' ' ILE . . . -50.63 -51.37 49.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 79' ' ' HIS . 40.2 t -56.39 -55.66 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.37 -44.36 72.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -55.28 -55.6 29.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.836 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.2 m-85 -64.46 -25.71 68.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -76.13 -50.38 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.6 p -79.54 -5.21 54.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.27 150.89 48.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -119.9 151.06 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -89.55 141.61 28.82 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.03 144.67 81.66 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.004 0.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.503 HG22 HG22 ' A' ' 95' ' ' VAL . 23.6 mt -96.34 111.29 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -83.81 110.32 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.049 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.95 151.28 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -132.39 139.15 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.509 HG13 HD11 ' A' ' 12' ' ' LEU . 13.9 m -125.71 164.52 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.792 HD13 HG13 ' A' ' 67' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.62 ' O ' HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 p -127.02 115.99 20.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 mt -106.74 155.69 19.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -107.82 140.75 40.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -139.47 137.15 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 11.9 t -100.67 117.15 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.791 HD22 ' HA ' ' A' ' 54' ' ' ALA . 48.6 mt -110.13 154.53 23.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.59 28.69 5.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CE2' HG23 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -170.48 -178.53 2.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 0.757 . . . . 0.0 110.962 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -125.01 166.88 15.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.541 HG23 ' CE2' ' A' ' 23' ' ' PHE . 1.1 pt -135.3 150.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 46' ' ' SER . 1.1 pt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.702 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.702 HD13 ' O ' ' A' ' 42' ' ' GLY . 26.4 mm -124.57 127.33 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 0.776 . . . . 0.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE1' ' HG3' ' A' ' 65' ' ' ARG . 28.7 m-85 -137.14 160.7 38.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.555 HG11 HD11 ' A' ' 48' ' ' ILE . 94.0 t -100.29 129.26 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.543 ' HB2' HG21 ' A' ' 26' ' ' ILE . 8.8 t -117.38 -38.46 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.52 135.56 55.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.555 HD11 HG11 ' A' ' 45' ' ' VAL . 14.4 mt -133.88 123.68 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.739 HG12 ' H ' ' A' ' 52' ' ' GLY . 86.7 t -78.15 124.84 37.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -60.05 -76.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -27.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.739 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -53.2 155.16 6.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.3 Cg_endo -75.02 -2.52 12.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.791 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -83.53 -39.57 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.531 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.14 -41.47 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -51.15 -83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 58' ' ' GLY . 43.1 mt-10 -101.73 -28.07 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.735 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -33.53 -55.51 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' LEU . . . 95.37 -12.16 68.18 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 45' ' ' VAL . 6.2 tp -47.16 172.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -155.18 122.98 5.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.547 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.8 mt -41.64 144.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.518 ' CG ' HG22 ' A' ' 62' ' ' ILE . 2.8 m-70 63.16 53.3 2.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -128.52 130.19 47.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.551 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 48.3 ttt180 -88.48 113.43 24.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 mt -65.74 141.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.571 HD12 HD12 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -109.75 -47.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -145.4 152.3 39.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.001 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.26 116.73 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER 57.7 18.07 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.65 -2.78 55.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.03 124.73 40.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.491 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -78.19 131.08 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.542 HD11 HG11 ' A' ' 69' ' ' VAL . 14.7 mt -128.54 5.49 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.365 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 t -51.59 -40.56 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.958 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.77 21.71 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.511 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -96.28 168.31 10.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -105.07 172.12 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.442 ' O ' HG23 ' A' ' 83' ' ' VAL . 56.9 t60 -53.08 -44.13 67.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.94 -49.62 73.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -61.29 -56.59 18.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.19 -52.43 26.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 79' ' ' HIS . 26.0 t -52.22 -55.69 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.93 -46.93 84.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.548 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -54.65 -53.55 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 69' ' ' VAL . 21.2 m-85 -66.57 -25.6 66.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -76.35 -49.23 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.6 p -80.06 -9.62 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -61.85 147.55 46.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -114.59 151.51 33.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -90.85 141.04 26.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.0 146.18 85.95 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.996 -0.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 18.4 mt -97.75 112.73 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' ASN . 45.5 t -83.55 110.54 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.001 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.07 151.05 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 5.3 tt0 -133.85 145.05 49.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 15.6 m -130.64 165.05 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 8' ' ' LYS . 11.9 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.476 ' O ' HD23 ' A' ' 98' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.669 ' C ' HD13 ' A' ' 10' ' ' LEU . 88.7 p -126.23 122.02 34.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.747 HD22 ' H ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.06 148.3 39.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -102.18 140.8 35.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.582 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -138.65 135.28 34.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.66 117.64 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.732 HD22 ' HA ' ' A' ' 54' ' ' ALA . 31.5 mt -110.19 155.28 22.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.581 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.8 29.35 6.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.32 -174.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.76 162.47 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.5 pt -127.71 159.83 37.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.524 HG21 ' CB ' ' A' ' 46' ' ' SER . 3.4 pt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.6 mm -100.78 119.17 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 60.9 m-85 -137.59 158.06 45.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.652 HG21 HD21 ' A' ' 60' ' ' LEU . 93.7 t -99.35 121.89 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.524 ' CB ' HG21 ' A' ' 26' ' ' ILE . 46.6 t -116.2 -1.81 12.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' O ' ' CG1' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -151.38 155.07 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 8.0 mt -155.61 141.72 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 52' ' ' GLY . 99.0 t -93.52 127.26 45.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -68.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -14.91 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.647 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -63.82 156.41 43.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.4 Cg_endo -74.96 -2.02 11.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.732 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -83.55 -39.39 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.31 -51.33 5.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -41.54 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 58' ' ' GLY . 41.8 mt-10 -101.59 -30.72 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.341 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.732 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -32.29 -61.56 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.97 -12.43 60.7 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 45' ' ' VAL . 7.7 tp -50.26 172.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -163.24 125.75 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.452 HG22 ' ND1' ' A' ' 63' ' ' HIS . 1.6 mt -39.53 156.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.452 ' ND1' HG22 ' A' ' 62' ' ' ILE . 9.5 m-70 57.82 49.19 12.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 7.0 m-20 -131.75 132.44 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 25.4 ttt180 -95.37 118.55 32.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.97 137.85 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.483 HD12 HD12 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -105.7 -48.03 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -145.53 152.18 39.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.006 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.36 115.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 58.64 16.88 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.8 5.84 54.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.04 128.22 48.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.833 ' O ' HD23 ' A' ' 74' ' ' LEU . 9.7 t70 -78.34 131.37 36.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.833 HD23 ' O ' ' A' ' 73' ' ' ASP . 9.4 mt -130.47 7.28 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.9 p -61.07 -38.83 87.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -112.43 18.94 18.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -96.66 174.63 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 t -111.03 174.74 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.581 ' O ' HG23 ' A' ' 83' ' ' VAL . 64.0 t60 -57.07 -38.56 73.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -52.0 65.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.77 -47.91 73.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.68 -53.63 49.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 79' ' ' HIS . 45.2 t -54.97 -55.57 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 88' ' ' THR . 5.2 tt0 -50.91 -47.65 60.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -52.3 -53.01 49.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' A' ' 69' ' ' VAL . 23.2 m-85 -64.44 -25.84 68.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -76.73 -49.19 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.802 HG23 ' O ' ' A' ' 84' ' ' GLU . 14.1 p -79.81 -3.27 47.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.16 150.47 43.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -120.99 150.63 40.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 3.6 mp0 -87.18 142.02 33.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.99 144.06 79.77 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -0.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.481 HG22 HG22 ' A' ' 95' ' ' VAL . 23.8 mt -97.22 112.32 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.1 t -83.5 110.62 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.006 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.82 150.86 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 2.0 tt0 -133.7 142.98 48.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.582 HG13 HD11 ' A' ' 12' ' ' LEU . 26.0 m -127.52 165.43 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.483 HD12 HD12 ' A' ' 67' ' ' ILE . 10.3 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' O ' HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.7 p -118.46 120.96 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.04 156.94 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.36 140.53 44.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.473 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.4 135.03 29.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.28 117.46 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.725 HD23 ' HA2' ' A' ' 58' ' ' GLY . 52.5 mt -108.29 153.98 22.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HG ' ' CD1' ' A' ' 86' ' ' PHE . 4.6 mm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.07 30.58 4.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -173.46 -178.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 111.031 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.36 163.52 30.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.548 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.9 pt -128.19 160.76 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.487 HG21 ' CB ' ' A' ' 46' ' ' SER . 3.6 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 77' ' ' ALA . 9.0 mm -92.64 130.58 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CE1' ' HG3' ' A' ' 65' ' ' ARG . 51.8 m-85 -145.57 154.67 42.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.673 HG21 HD21 ' A' ' 60' ' ' LEU . 95.7 t -95.31 115.98 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.487 ' CB ' HG21 ' A' ' 26' ' ' ILE . 38.6 t -112.51 -8.56 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -143.38 146.08 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.583 HD11 HG11 ' A' ' 45' ' ' VAL . 22.9 mt -151.3 126.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' H ' ' A' ' 52' ' ' GLY . 93.9 t -81.56 133.65 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.12 -80.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.87 -27.34 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.684 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -50.14 153.49 3.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.572 1.17 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -2.07 12.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -86.16 -40.97 15.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.582 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.25 -28.55 17.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -64.7 -82.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.4 mm-40 -101.45 -26.06 13.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.725 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -35.25 -59.67 0.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.92 4.47 60.2 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.673 HD21 HG21 ' A' ' 45' ' ' VAL . 8.2 tp -65.05 172.35 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -155.44 125.45 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.562 HG22 ' CD2' ' A' ' 63' ' ' HIS . 4.0 mt -45.38 152.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.562 ' CD2' HG22 ' A' ' 62' ' ' ILE . 39.8 m-70 62.36 45.89 6.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 30.5 m-20 -126.08 138.13 53.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.549 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 18.2 ttt180 -99.37 114.07 26.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.525 HD13 ' HZ ' ' A' ' 86' ' ' PHE . 4.7 mt -64.88 140.79 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.515 HD12 HD12 ' A' ' 98' ' ' LEU . 1.3 mm -108.31 -48.26 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -146.34 152.37 39.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.969 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.82 116.22 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.15 17.32 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.12 -0.85 56.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.04 126.55 38.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.15 124.23 29.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.5 HD11 ' CG1' ' A' ' 69' ' ' VAL . 10.9 mt -125.35 4.22 7.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 p -52.0 -39.28 59.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -112.5 21.6 15.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.486 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -96.94 166.79 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 79' ' ' HIS . 8.7 t -99.93 -174.37 2.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.548 ' CD2' HG13 ' A' ' 25' ' ' ILE . 39.2 t-80 -65.58 -43.24 90.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -48.98 79.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.402 ' H ' HG23 ' A' ' 78' ' ' THR . 37.7 mt-30 -62.76 -54.38 40.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.453 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -51.38 -54.57 25.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' HIS . 38.1 t -52.4 -55.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.518 ' O ' HG23 ' A' ' 88' ' ' THR . 3.7 tt0 -52.23 -46.02 65.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.45 -51.54 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.526 ' CE1' HG21 ' A' ' 69' ' ' VAL . 22.7 m-85 -67.62 -25.97 66.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -76.79 -38.85 53.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 84' ' ' GLU . 64.2 p -93.41 3.12 56.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -74.62 145.85 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' CG1' ' A' ' 93' ' ' ILE . 2.5 mmmt -110.8 152.92 26.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.2 OUTLIER -93.79 141.36 23.67 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -75.01 142.6 75.25 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.03 -2.487 . . . . 0.0 111.004 0.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 12.2 mt -93.79 113.35 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.0 t -84.94 111.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.969 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -116.2 151.14 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.5 tt0 -134.83 141.05 46.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.473 ' CG2' HD21 ' A' ' 12' ' ' LEU . 4.9 m -128.19 164.59 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 67' ' ' ILE . 11.1 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.742 ' O ' HD23 ' A' ' 98' ' ' LEU . 4.7 mptt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.2 p -131.37 117.58 19.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -111.3 153.61 25.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -106.27 141.17 38.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -138.74 133.93 32.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -101.22 116.41 44.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' A' ' 54' ' ' ALA . 12.6 mt -109.08 154.66 21.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.578 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.99 29.11 5.34 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.501 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -175.42 179.27 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.982 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -132.58 166.71 21.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 4.5 pt -133.14 162.82 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.536 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.1 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.449 HD11 ' O ' ' A' ' 77' ' ' ALA . 12.5 mm -99.64 124.62 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CZ ' ' HD2' ' A' ' 65' ' ' ARG . 47.1 m-85 -140.67 160.71 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.414 HG21 HD21 ' A' ' 60' ' ' LEU . 90.4 t -101.47 123.32 54.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.536 ' HB2' HG21 ' A' ' 26' ' ' ILE . 30.3 t -119.0 -5.03 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -148.17 144.03 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 62' ' ' ILE . 16.1 mt -145.1 124.73 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.489 HG12 ' H ' ' A' ' 52' ' ' GLY . 61.5 t -79.79 123.07 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -66.08 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.48 -18.8 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.489 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -56.77 151.45 25.17 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.437 1.086 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.63 12.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.708 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -90.54 -31.46 16.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.63 -38.98 12.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 58' ' ' GLY . 4.2 mm-40 -102.19 -27.48 12.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.38 -65.32 0.23 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.438 1.087 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.58 -14.37 35.46 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.501 ' CD2' ' CD2' ' A' ' 23' ' ' PHE . 8.8 tp -46.22 170.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -161.9 126.27 3.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.557 ' N ' HD12 ' A' ' 48' ' ' ILE . 2.8 mt -42.2 146.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.5 ' CG ' HG22 ' A' ' 62' ' ' ILE . 26.0 m170 68.15 41.19 2.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 109.596 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -123.32 125.53 45.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.476 ' HD2' ' CZ ' ' A' ' 44' ' ' PHE . 37.9 ttt180 -86.76 120.33 27.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.414 HG23 HG12 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -71.88 135.27 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.556 HD12 HD12 ' A' ' 98' ' ' LEU . 2.5 mm -102.28 -52.14 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -144.06 153.46 42.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.0 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.53 116.37 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.16 22.09 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.29 -0.84 62.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 125.06 40.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.356 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.908 ' O ' HD23 ' A' ' 74' ' ' LEU . 39.1 t0 -77.46 136.73 38.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.908 HD23 ' O ' ' A' ' 73' ' ' ASP . 11.3 mt -137.73 13.94 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -64.55 -42.42 95.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.89 21.48 15.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -95.05 167.24 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 81' ' ' GLN . 10.0 t -99.73 166.01 11.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.504 ' O ' HG23 ' A' ' 83' ' ' VAL . 75.0 t60 -50.45 -39.81 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.578 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -52.12 66.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.412 ' H ' HG23 ' A' ' 78' ' ' THR . 7.4 mt-30 -61.38 -48.13 82.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.44 -56.44 18.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 79' ' ' HIS . 47.3 t -52.07 -53.31 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.59 -48.47 63.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.61 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.82 -52.07 61.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.544 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.6 m-85 -67.66 -25.81 65.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 83' ' ' VAL . 11.1 ttmm -76.22 -45.39 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.7 p -86.26 -9.35 56.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -60.69 142.91 55.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.53 152.99 24.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.5 mp0 -91.84 139.92 24.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.97 151.03 96.4 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.045 -0.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 14.5 mt -102.32 110.65 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -83.78 111.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.0 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.04 151.81 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.118 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.0 OUTLIER -133.36 138.44 46.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 11.3 m -126.24 165.36 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 8' ' ' LYS . 14.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.808 ' C ' HD13 ' A' ' 10' ' ' LEU . 1.3 p -139.23 122.62 17.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.808 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -111.94 157.06 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -106.33 140.24 39.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.835 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -139.99 135.07 32.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 35.4 t -99.08 116.87 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD12 HG21 ' A' ' 95' ' ' VAL . 31.9 mt -108.28 154.26 22.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.562 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 108.86 21.65 7.36 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.72 -168.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -140.22 172.37 12.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.519 HG13 ' CE1' ' A' ' 79' ' ' HIS . 1.8 pt -135.89 165.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.61 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.0 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.42 HD11 ' O ' ' A' ' 77' ' ' ALA . 24.2 mm -105.67 134.53 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.454 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 72.7 m-85 -141.31 166.54 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.664 HG21 HD21 ' A' ' 60' ' ' LEU . 92.9 t -109.9 115.88 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.61 ' HB2' HG21 ' A' ' 26' ' ' ILE . 46.9 t -107.12 -4.74 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.71 153.74 34.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.587 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 14.4 mt -153.18 118.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.539 HG12 ' H ' ' A' ' 52' ' ' GLY . 55.2 t -69.52 120.94 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -62.06 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -11.96 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.539 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -67.75 156.2 52.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.8 11.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.545 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -84.94 -37.49 20.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.587 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.09 -40.34 11.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 58' ' ' GLY . 26.7 mm-40 -102.06 -27.58 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.14 -63.02 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.76 3.13 55.16 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.664 HD21 HG21 ' A' ' 45' ' ' VAL . 9.5 tp -67.71 167.53 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -151.91 128.68 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.539 HG22 ' CG ' ' A' ' 63' ' ' HIS . 4.4 mt -46.84 153.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.539 ' CG ' HG22 ' A' ' 62' ' ' ILE . 35.8 m-70 60.76 46.28 9.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.644 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 7.4 m-20 -124.8 139.79 53.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 6.6 ttt180 -98.18 116.58 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.35 136.75 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.841 HD11 ' HB2' ' A' ' 98' ' ' LEU . 1.7 mm -103.17 -50.0 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -144.54 153.16 41.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.027 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.3 117.52 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.39 17.0 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.07 -0.42 57.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.69 124.75 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -78.11 120.58 23.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.511 HD11 ' CG1' ' A' ' 69' ' ' VAL . 13.6 mt -120.29 -3.64 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.37 -35.99 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -112.82 22.61 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -102.59 170.42 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.415 ' CA ' HD11 ' A' ' 43' ' ' ILE . 5.5 t -109.07 168.04 9.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.519 ' CE1' HG13 ' A' ' 25' ' ' ILE . 78.0 t60 -49.4 -45.03 45.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -52.1 63.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -64.16 -50.04 69.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -48.95 -52.52 24.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.7 t -52.55 -55.84 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.88 -41.61 74.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.92 -53.65 54.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.687 ' CE1' HG21 ' A' ' 69' ' ' VAL . 30.7 m-85 -67.59 -26.61 66.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -44.02 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.3 p -87.43 -0.13 56.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.59 148.38 48.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -117.97 151.32 37.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -90.23 140.36 27.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 144.83 82.21 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 17.0 mt -96.59 111.4 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.9 t -83.58 110.9 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.027 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.42 150.87 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 7.3 tt0 -133.15 146.07 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.835 HG13 HD11 ' A' ' 12' ' ' LEU . 18.1 m -132.1 164.89 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.841 ' HB2' HD11 ' A' ' 67' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.938 ' C ' HD13 ' A' ' 10' ' ' LEU . 11.5 p -128.43 126.45 40.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.938 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -115.67 155.32 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -108.51 139.99 42.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.937 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.45 136.83 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.48 117.47 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.735 HD22 ' HA ' ' A' ' 54' ' ' ALA . 31.0 mt -110.96 155.61 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.538 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.432 ' HG ' ' CD1' ' A' ' 86' ' ' PHE . 3.8 mm? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.78 39.4 3.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.443 ' CE2' HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -178.4 -179.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.987 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -122.71 166.69 14.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.619 HG13 ' CE1' ' A' ' 79' ' ' HIS . 2.9 pt -139.78 148.91 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.369 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.545 HG21 ' HB2' ' A' ' 46' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.705 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.705 HD13 ' O ' ' A' ' 42' ' ' GLY . 31.8 mm -128.45 125.54 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.61 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 60.2 m-85 -137.4 162.73 32.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.826 HG21 HD21 ' A' ' 60' ' ' LEU . 73.2 t -103.69 122.61 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.545 ' HB2' HG21 ' A' ' 26' ' ' ILE . 11.0 t -106.13 -40.24 5.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.81 144.72 48.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.628 HD11 HG11 ' A' ' 45' ' ' VAL . 28.0 mt -140.42 121.83 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.89 118.61 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 52' ' ' GLY . 11.1 m-20 -49.81 -83.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t -40.41 -29.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 50' ' ' ASP . . . -48.61 152.19 2.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.2 12.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.735 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -84.26 -38.48 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.613 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.74 -42.82 9.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -49.46 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 58' ' ' GLY . 12.0 pt-20 -101.93 -28.79 12.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.718 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -32.25 -50.86 0.38 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.68 4.83 75.53 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.858 HD11 ' OD2' ' A' ' 64' ' ' ASP . 7.1 tp -67.99 171.25 7.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -157.74 126.85 5.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.517 HG22 ' CG ' ' A' ' 63' ' ' HIS . 3.1 mt -40.9 147.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.517 ' CG ' HG22 ' A' ' 62' ' ' ILE . 23.7 m170 65.54 55.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.858 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -115.6 169.69 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.61 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 17.1 ttt180 -132.34 83.54 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.568 HG23 HG12 ' A' ' 95' ' ' VAL . 1.9 mt -50.3 133.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -106.96 -40.69 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -148.93 149.18 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.23 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.972 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -138.99 116.51 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t30 61.69 14.83 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.94 5.25 56.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.46 125.12 43.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.34 121.07 23.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 82' ' ' ALA . 16.4 mt -123.14 2.28 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -50.23 -38.45 40.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -112.72 21.96 15.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.14 170.88 8.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.4 t -107.44 167.89 9.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.619 ' CE1' HG13 ' A' ' 25' ' ' ILE . 83.4 t60 -51.0 -41.51 59.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.605 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -52.26 66.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -49.47 73.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.578 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.53 -52.36 30.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.443 ' CG2' HD11 ' A' ' 25' ' ' ILE . 26.0 t -54.61 -55.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 88' ' ' THR . 8.3 tt0 -50.58 -47.27 58.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -54.11 -56.83 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CE1' HG21 ' A' ' 69' ' ' VAL . 20.5 m-85 -60.65 -25.62 66.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -51.49 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.819 HG23 ' O ' ' A' ' 84' ' ' GLU . 14.8 p -79.26 -4.99 53.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -70.97 149.84 46.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -119.76 151.67 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 3.5 mp0 -88.68 144.0 32.73 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.98 138.5 56.44 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.043 -0.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.457 HG22 HG22 ' A' ' 95' ' ' VAL . 23.4 mt -91.04 111.88 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.5 t -84.19 110.98 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.972 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -114.97 151.05 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -133.08 139.05 46.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.937 HG13 HD11 ' A' ' 12' ' ' LEU . 11.4 m -128.6 165.23 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.7 ' HB2' HD11 ' A' ' 67' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 3.2 tptt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.645 ' C ' HD12 ' A' ' 10' ' ' LEU . 32.9 p -109.76 117.83 34.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.645 HD12 ' C ' ' A' ' 9' ' ' SER . 1.4 mp -106.17 147.97 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -99.98 140.83 33.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.078 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -144.68 139.6 28.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.466 HG12 ' CE1' ' A' ' 15' ' ' HIS . 24.8 t -99.39 116.33 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 95' ' ' VAL . 74.9 mt -107.07 155.54 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.466 ' CE1' HG12 ' A' ' 13' ' ' VAL . 1.7 m-70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.589 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.423 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 4.4 mm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 103.2 29.65 5.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CE1' ' HB3' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -171.11 -178.62 2.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 111.016 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.56 -174.2 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.53 ' CD1' ' CB ' ' A' ' 82' ' ' ALA . 3.1 pt -149.84 160.63 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.9 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.515 HD11 ' O ' ' A' ' 77' ' ' ALA . 26.2 mm -111.82 128.18 68.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.523 ' CE2' ' HG3' ' A' ' 65' ' ' ARG . 79.1 m-85 -138.31 158.42 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.458 HG21 ' OD2' ' A' ' 64' ' ' ASP . 33.5 t -96.24 124.87 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB2' HG21 ' A' ' 26' ' ' ILE . 38.7 t -122.72 6.29 9.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.066 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.83 149.59 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 11.6 mt -153.54 118.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.634 HG12 ' H ' ' A' ' 52' ' ' GLY . 68.0 t -69.32 131.23 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.83 -75.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.36 -21.4 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.634 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -51.4 151.13 6.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -2.25 12.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -89.88 -33.4 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.58 -19.74 22.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -74.72 -82.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' GLY . 11.7 mm-40 -101.97 -19.26 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.507 ' CA ' HD23 ' A' ' 14' ' ' LEU . . . -35.7 -65.53 0.45 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.94 3.55 48.78 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.972 HD11 ' OD2' ' A' ' 64' ' ' ASP . 9.8 tp -71.35 171.42 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -158.42 123.01 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.575 HG22 ' CD2' ' A' ' 63' ' ' HIS . 2.7 mt -38.37 152.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.575 ' CD2' HG22 ' A' ' 62' ' ' ILE . 25.4 m-70 65.06 44.73 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.972 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -115.2 143.01 45.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.523 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 9.3 ttt180 -105.51 91.5 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mt -50.44 140.58 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.822 HG13 HD13 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -114.1 -44.06 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.97 152.6 37.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.996 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.93 117.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' VAL . 0.2 OUTLIER 55.35 19.79 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.16 -3.35 56.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.84 126.91 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.46 ' O ' HD23 ' A' ' 74' ' ' LEU . 25.6 t70 -80.72 129.47 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.462 HD11 HG11 ' A' ' 69' ' ' VAL . 16.0 mt -125.07 2.7 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 t -54.55 -36.82 64.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -112.75 20.8 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.515 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -99.9 171.29 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.402 ' CA ' HD11 ' A' ' 43' ' ' ILE . 1.7 p -107.21 -177.25 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.443 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -62.6 -42.79 99.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -52.08 66.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -61.35 -48.38 81.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -52.09 -57.3 9.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.6 t -51.84 -54.4 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.786 ' O ' HG23 ' A' ' 88' ' ' THR . 4.9 tt0 -50.44 -46.34 56.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -55.06 -57.24 12.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.745 ' CE1' HG21 ' A' ' 69' ' ' VAL . 47.6 m-85 -64.27 -25.53 68.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 83' ' ' VAL . 29.5 ttpt -74.14 -49.14 25.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 84' ' ' GLU . 18.5 p -84.04 -7.48 59.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -65.98 150.23 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -117.59 152.29 35.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -91.0 143.39 28.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 141.61 72.29 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.998 -0.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 22.5 mt -93.18 111.86 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' ASN . 61.4 t -82.99 110.41 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.996 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -115.71 150.48 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -128.7 136.14 50.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 1.078 HG13 HD11 ' A' ' 12' ' ' LEU . 5.0 m -124.65 165.16 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.822 HD13 HG13 ' A' ' 67' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mttt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.891 ' C ' HD13 ' A' ' 10' ' ' LEU . 13.4 p -103.73 125.65 50.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.891 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -120.35 145.69 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -102.91 140.52 37.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -141.32 137.23 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.87 116.56 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 32.8 mt -107.83 154.06 22.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' O ' HD13 ' A' ' 21' ' ' LEU . 81.4 m-70 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 15' ' ' HIS . 3.8 mm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.88 43.23 1.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.402 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -179.19 177.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.08 161.71 36.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.456 HD12 ' CB ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -124.77 157.58 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 pt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.8 mm -101.94 129.88 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 49.3 m-85 -143.81 154.45 43.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.568 HG21 HD21 ' A' ' 60' ' ' LEU . 95.0 t -96.01 116.21 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.9 t -114.02 -8.42 13.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -140.43 146.64 38.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.503 HD11 HG11 ' A' ' 45' ' ' VAL . 12.5 mt -153.63 116.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.578 HG12 ' H ' ' A' ' 52' ' ' GLY . 94.2 t -72.02 117.02 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -53.59 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -13.98 30.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.578 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -61.69 153.67 40.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -89.22 -31.84 17.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.439 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.0 -30.99 15.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -61.92 -83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' GLY . 67.3 mt-10 -101.77 -24.83 14.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.01 -63.64 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.977 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.87 2.31 52.28 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.568 HD21 HG21 ' A' ' 45' ' ' VAL . 6.3 tp -66.2 173.32 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -159.98 123.68 3.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.522 HG22 ' CG ' ' A' ' 63' ' ' HIS . 2.4 mt -40.97 155.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 62' ' ' ILE . 11.8 m-70 57.2 49.62 13.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 29.6 m-20 -128.39 122.78 32.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 25.3 ttt180 -85.72 106.78 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.436 HG23 HG12 ' A' ' 95' ' ' VAL . 1.5 mt -62.01 143.86 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.809 HG13 HD13 ' A' ' 98' ' ' LEU . 1.1 mm -110.66 -49.17 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -142.94 152.68 42.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.014 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -141.18 115.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.32 15.62 5.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.65 -2.98 53.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.49 124.76 38.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 0.736 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.555 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -77.59 128.1 33.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.576 HD11 ' CG1' ' A' ' 69' ' ' VAL . 8.1 mt -124.32 2.29 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 t -54.69 -39.33 68.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -111.92 21.45 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.62 179.78 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 p -116.1 176.83 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.685 ' O ' HG23 ' A' ' 83' ' ' VAL . 43.8 t60 -60.22 -33.6 72.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.7 -52.07 54.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -66.45 -50.47 63.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.463 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -51.41 -50.08 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 79' ' ' HIS . 37.8 t -57.06 -55.85 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 88' ' ' THR . 10.8 tt0 -53.11 -39.09 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.622 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -59.04 -55.98 28.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.594 ' CE1' HG21 ' A' ' 69' ' ' VAL . 26.5 m-85 -65.34 -25.69 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.31 -47.07 20.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 84' ' ' GLU . 69.1 p -85.81 -3.0 58.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.33 148.15 52.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -116.14 152.75 33.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.529 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 12.2 mt-10 -91.15 141.47 26.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.05 145.02 82.72 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.976 0.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.422 HG22 HG22 ' A' ' 95' ' ' VAL . 19.2 mt -96.68 111.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -83.61 111.13 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.014 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.74 150.72 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 7.2 tt0 -135.82 147.26 48.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.586 HG23 HD23 ' A' ' 10' ' ' LEU . 15.5 m -135.84 164.73 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.809 HD13 HG13 ' A' ' 67' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.449 ' HA ' HD12 ' A' ' 98' ' ' LEU . 94.3 p -107.93 128.92 55.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.53 157.37 38.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.75 140.93 43.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.493 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -138.84 136.69 35.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -98.71 116.99 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD12 ' HE1' ' A' ' 86' ' ' PHE . 58.9 mt -103.88 154.51 19.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.403 ' O ' HD13 ' A' ' 21' ' ' LEU . 84.3 m-70 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 21' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.567 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 101.32 44.57 1.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.7 p90 -178.84 177.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -141.6 165.28 27.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' A' ' 82' ' ' ALA . 1.5 pt -126.39 162.64 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.607 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.4 pt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.441 HD11 ' O ' ' A' ' 77' ' ' ALA . 19.5 mm -101.83 118.82 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 56.1 m-85 -133.84 153.24 51.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.478 ' CG1' HG13 ' A' ' 48' ' ' ILE . 77.5 t -90.07 124.31 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.607 ' HB2' HG21 ' A' ' 26' ' ' ILE . 36.0 t -113.38 -20.74 11.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -134.49 152.88 52.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.478 HG13 ' CG1' ' A' ' 45' ' ' VAL . 3.5 mt -156.86 111.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 2.4 m -67.88 149.92 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -78.09 -79.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -34.15 -52.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.531 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -33.38 150.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.0 -11.75 21.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.448 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -73.15 -28.89 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -94.19 -38.06 11.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -56.58 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 58' ' ' GLY . 10.9 mt-10 -100.86 -24.43 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -29.79 -57.33 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.85 -12.53 67.18 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 60' ' ' LEU . 6.7 tp -53.74 168.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -165.69 126.71 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.73 HG22 ' CD2' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -41.09 148.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.73 ' CD2' HG22 ' A' ' 62' ' ' ILE . 2.0 m80 68.9 35.4 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 33.5 m-20 -117.73 119.46 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 42.3 ttt180 -85.66 107.76 17.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.479 HG23 HG12 ' A' ' 95' ' ' VAL . 1.1 mt -63.42 139.27 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.782 HG13 HD13 ' A' ' 98' ' ' LEU . 1.1 mm -106.29 -46.04 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -147.78 151.64 36.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.981 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.6 118.04 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' VAL . 0.5 OUTLIER 57.64 17.36 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.21 -4.28 55.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.46 127.59 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.972 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -78.99 137.82 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.972 HD23 ' O ' ' A' ' 73' ' ' ASP . 6.5 mt -143.89 24.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 p -68.36 -44.98 74.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -112.42 9.42 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -75.47 173.34 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 p -101.34 156.66 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.645 ' O ' HG23 ' A' ' 83' ' ' VAL . 45.2 t60 -49.29 -26.07 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -46.32 50.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -65.3 -54.89 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.715 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.81 -51.95 35.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 79' ' ' HIS . 25.5 t -53.42 -55.7 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -53.27 -44.53 68.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -54.09 -54.2 42.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.856 ' CE1' HG21 ' A' ' 69' ' ' VAL . 31.7 m-85 -64.58 -26.97 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -45.58 39.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 74.7 p -87.71 0.61 55.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.7 150.43 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -121.16 153.67 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 14.3 mt-10 -89.52 142.66 29.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.1 Cg_endo -75.01 140.93 70.07 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.997 0.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.52 HG22 HG22 ' A' ' 95' ' ' VAL . 28.3 mt -93.21 111.05 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 70' ' ' ASN . 44.4 t -83.62 109.97 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.981 HG13 HG23 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -115.97 150.82 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.8 tt0 -134.56 141.02 46.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.493 ' CG2' HD21 ' A' ' 12' ' ' LEU . 12.5 m -131.12 165.15 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.782 HD13 HG13 ' A' ' 67' ' ' ILE . 1.7 mp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.515 ' C ' HD12 ' A' ' 10' ' ' LEU . 2.7 p -113.68 115.05 27.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -102.79 146.27 28.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.04 141.06 32.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -141.54 136.59 31.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 41.3 t -99.34 116.98 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' A' ' 54' ' ' ALA . 29.4 mt -107.81 154.6 21.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.547 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.85 33.74 5.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -176.29 -179.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 111.02 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.405 ' N ' ' HE2' ' A' ' 47' ' ' LYS . 1.2 t-20 -135.76 162.86 31.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.522 HG13 ' CE1' ' A' ' 79' ' ' HIS . 4.8 pt -129.68 163.06 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.465 HG21 ' HB2' ' A' ' 46' ' ' SER . 1.6 pt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.468 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 77' ' ' ALA . 17.1 mm -110.55 129.31 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 89.7 m-85 -143.59 151.71 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.652 HG21 HD21 ' A' ' 60' ' ' LEU . 89.2 t -95.67 124.73 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.465 ' HB2' HG21 ' A' ' 26' ' ' ILE . 11.2 t -117.52 -7.17 11.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 109.941 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 23' ' ' PHE . 7.1 ttpt -148.92 145.33 27.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.693 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 36.2 mt -147.94 121.38 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 52' ' ' GLY . 40.5 t -69.55 119.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.18 -72.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -18.61 11.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.438 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -55.97 153.97 15.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.3 Cg_endo -74.98 -2.46 12.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.631 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -82.92 -41.37 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.693 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -90.75 -37.07 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -55.13 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' GLY . 46.6 mt-10 -101.26 -29.64 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.616 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -35.67 -60.11 0.82 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.59 -9.52 58.85 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 45' ' ' VAL . 10.0 tp -55.36 166.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -156.31 129.89 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.431 HG22 ' ND1' ' A' ' 63' ' ' HIS . 1.6 mt -43.35 156.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.431 ' ND1' HG22 ' A' ' 62' ' ' ILE . 12.7 m-70 60.42 45.56 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 17.6 m-20 -128.12 133.45 48.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 22.5 ttt180 -98.2 110.9 23.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.506 HG23 HG12 ' A' ' 95' ' ' VAL . 1.3 mt -63.55 140.88 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.757 ' CD1' HD13 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -107.42 -44.16 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -151.4 153.21 34.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.942 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.43 113.58 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.644 ' HA ' HG12 ' A' ' 94' ' ' VAL . 0.5 OUTLIER 72.69 -47.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 69' ' ' VAL . . . 160.09 23.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.601 ' HB3' HD21 ' A' ' 74' ' ' LEU . 1.1 mtt180 -115.86 134.41 55.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.975 ' O ' HD23 ' A' ' 74' ' ' LEU . 16.3 t0 -71.17 121.17 17.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.975 HD23 ' O ' ' A' ' 73' ' ' ASP . 6.4 mt -133.25 15.53 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.431 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 3.0 t -65.76 -46.93 76.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -113.26 21.36 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.615 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -84.89 169.47 14.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -100.23 170.45 8.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.547 ' O ' HG23 ' A' ' 83' ' ' VAL . 58.5 t60 -55.1 -36.46 65.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -49.5 72.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.24 -50.69 67.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -53.2 -56.19 18.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 79' ' ' HIS . 50.2 t -52.89 -54.66 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 88' ' ' THR . 1.3 tp10 -50.27 -48.78 54.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.23 -54.15 40.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.635 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.2 m-85 -64.96 -25.62 67.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -76.84 -38.99 52.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 84' ' ' GLU . 19.0 p -99.25 7.58 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.368 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.61 140.07 47.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' CG1' ' A' ' 93' ' ' ILE . 30.3 mmtt -104.09 152.83 21.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 14.7 mt-10 -95.56 140.81 22.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.99 146.27 86.2 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.03 -2.487 . . . . 0.0 111.021 -0.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 9.4 mt -95.99 111.94 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 70' ' ' ASN . 3.8 p -83.54 108.47 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.942 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -112.8 149.16 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -134.91 145.09 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 60' ' ' LEU . 26.9 m -135.01 162.87 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.487 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.2 mptt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.344 -0.614 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.9 p -106.28 132.08 52.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.047 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt -124.82 157.44 35.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -108.82 140.7 41.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.8 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.8 138.64 39.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 92' ' ' PRO . 0.3 OUTLIER -99.75 117.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.668 HD12 HG21 ' A' ' 95' ' ' VAL . 73.9 mt -105.61 154.65 20.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.708 ' O ' HD13 ' A' ' 21' ' ' LEU . 48.1 m-70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 15' ' ' HIS . 3.1 mm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.596 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 102.44 43.68 1.96 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.8 p90 -176.35 173.2 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -130.01 167.37 18.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 83' ' ' VAL . 1.3 pt -128.8 158.79 41.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.505 HG21 ' HB2' ' A' ' 46' ' ' SER . 1.3 pt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.0 mm -100.52 126.96 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.537 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 72.4 m-85 -138.95 166.82 23.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' HIS . 90.0 t -107.09 130.86 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.505 ' HB2' HG21 ' A' ' 26' ' ' ILE . 12.6 t -120.47 -38.37 2.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.03 147.35 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.46 HD11 ' HG ' ' A' ' 60' ' ' LEU . 3.0 mt -154.2 102.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.596 HG22 ' CA ' ' A' ' 22' ' ' GLY . 2.3 m -66.81 149.15 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.548 ' O ' ' C ' ' A' ' 51' ' ' SER . 31.1 m-20 -76.08 -88.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 50' ' ' ASP . 2.2 m -26.51 -48.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.494 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -36.76 150.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.5 Cg_endo -74.96 -8.24 19.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -77.17 -33.13 56.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -93.41 -36.74 12.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -57.31 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 58' ' ' GLY . 40.0 mt-10 -100.97 -25.22 14.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -30.96 -57.39 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.22 -10.72 67.55 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.491 ' CD1' HG11 ' A' ' 97' ' ' VAL . 6.2 tp -52.57 165.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.34 126.9 8.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.583 HG22 ' CD2' ' A' ' 63' ' ' HIS . 2.0 mt -42.84 147.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.583 ' CD2' HG22 ' A' ' 62' ' ' ILE . 27.8 m-70 61.61 50.7 4.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 44' ' ' PHE . 13.8 m-20 -123.5 134.59 53.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.537 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 17.0 ttt180 -92.99 108.37 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.91 136.49 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.551 ' CD1' HD12 ' A' ' 98' ' ' LEU . 3.5 mm -103.2 -52.1 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -143.65 155.15 44.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.082 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.4 116.44 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 55.6 19.83 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.65 -0.67 58.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 124.63 35.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.427 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -75.8 120.71 21.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.552 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 16.8 mt -116.2 -7.02 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.3 t -53.8 -36.55 62.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -112.8 21.56 15.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -104.56 174.4 5.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 p -111.51 173.21 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.431 ' CE1' HG13 ' A' ' 25' ' ' ILE . 41.1 t60 -55.5 -39.75 70.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.623 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -52.09 66.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.62 -49.02 74.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 1.065 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.432 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -50.15 -51.73 41.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 25' ' ' ILE . 12.7 t -55.21 -56.23 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -51.34 -42.86 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.51 -56.41 21.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 69' ' ' VAL . 40.3 m-85 -64.62 -25.45 67.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -42.7 38.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.5 p -90.11 -2.65 58.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -70.33 148.12 48.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -115.32 151.9 33.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.3 mp0 -90.64 141.99 27.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.92 143.66 78.52 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.006 -0.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.466 HG22 HG22 ' A' ' 95' ' ' VAL . 18.9 mt -95.15 111.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.69 110.06 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.082 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.27 151.5 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.05 132.04 46.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.8 ' CG2' HD21 ' A' ' 12' ' ' LEU . 15.6 m -124.39 165.38 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.551 HD12 ' CD1' ' A' ' 67' ' ' ILE . 18.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -120.96 118.9 31.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mt -110.46 151.16 27.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -101.55 141.11 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.019 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.45 137.81 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.04 117.03 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.698 HD23 ' HA2' ' A' ' 58' ' ' GLY . 46.8 mt -109.04 155.68 20.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 1.4 mm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 102.68 29.22 5.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.4 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -170.1 -169.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.16 163.17 37.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.494 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.3 pt -130.09 162.8 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.519 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.8 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.511 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.527 HD11 ' O ' ' A' ' 77' ' ' ALA . 16.4 mm -111.88 128.54 68.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 82.2 m-85 -141.74 154.92 45.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.404 HG21 ' OD2' ' A' ' 64' ' ' ASP . 45.8 t -90.54 127.5 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB2' HG21 ' A' ' 26' ' ' ILE . 47.2 t -123.11 3.78 9.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.952 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.41 148.82 18.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.476 HD12 ' N ' ' A' ' 62' ' ' ILE . 12.9 mt -152.51 117.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' GLY . 22.5 t -71.13 119.54 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -48.17 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -21.83 12.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.1 147.02 1.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.615 ' HA ' ' CG ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -75.05 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.604 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -91.83 -19.61 22.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . -94.72 -60.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.615 ' CG ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -40.28 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.7 mt-10 -90.98 -43.93 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.698 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -20.75 -55.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . 89.06 4.15 75.19 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.004 HD11 ' OD2' ' A' ' 64' ' ' ASP . 10.2 tp -69.55 170.53 10.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -162.37 126.37 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.476 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.1 mt -38.91 150.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.472 ' ND1' HG22 ' A' ' 62' ' ' ILE . 12.4 m-70 68.73 45.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.619 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 1.004 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -117.34 142.17 47.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 7.0 ttt180 -107.46 89.4 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.447 HG23 HG12 ' A' ' 95' ' ' VAL . 1.6 mt -50.17 135.91 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.679 ' CD1' HD13 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -108.07 -42.49 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.87 152.71 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.015 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.91 116.02 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.15 17.7 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.97 -1.61 55.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.22 129.65 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.671 ' O ' HD23 ' A' ' 74' ' ' LEU . 8.6 t0 -81.26 129.29 34.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 73' ' ' ASP . 14.0 mt -131.68 11.9 4.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.5 p -58.44 -42.73 88.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -112.32 21.48 15.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.527 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -93.27 171.68 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -107.19 166.54 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.42 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.537 ' O ' HG23 ' A' ' 83' ' ' VAL . 21.7 t-80 -51.25 -38.65 53.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -51.63 67.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -65.32 -47.64 75.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.499 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -55.41 -56.84 15.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 79' ' ' HIS . 45.3 t -51.84 -51.45 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.8 -45.51 74.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.26 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.548 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.58 -53.64 48.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.505 ' CE1' HG21 ' A' ' 69' ' ' VAL . 35.1 m-85 -64.73 -25.59 68.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -77.91 -43.94 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.0 p -87.02 -5.42 59.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -71.67 147.77 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 152.67 31.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.1 mt-10 -89.81 142.9 29.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.97 145.1 83.0 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -0.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.414 HG22 HG22 ' A' ' 95' ' ' VAL . 21.5 mt -97.85 111.9 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.4 t -83.56 110.33 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.015 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -115.49 151.01 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 3.0 tt0 -129.87 141.9 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 1.019 HG13 HD11 ' A' ' 12' ' ' LEU . 5.3 m -130.03 164.84 31.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.679 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.675 ' C ' HD13 ' A' ' 10' ' ' LEU . 28.6 p -115.64 124.71 51.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.675 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -112.82 157.01 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -108.61 140.31 42.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.566 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.54 134.6 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 56.9 t -98.69 116.4 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 ' HA ' ' A' ' 54' ' ' ALA . 39.2 mt -108.78 154.76 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.589 ' O ' HD13 ' A' ' 21' ' ' LEU . 66.6 m-70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.582 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.74 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 4.3 mm? . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.41 40.23 85.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.123 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -177.49 -175.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 111.042 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.79 -172.96 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.489 HG13 ' CE1' ' A' ' 79' ' ' HIS . 2.1 pt -150.93 157.74 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.419 ' CG2' ' HB3' ' A' ' 46' ' ' SER . 3.9 pt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 42' ' ' GLY . 16.5 mm -111.44 128.27 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 68.5 m-85 -145.21 149.73 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.941 HG21 HD21 ' A' ' 60' ' ' LEU . 99.5 t -89.92 122.88 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.419 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 43.9 t -118.17 3.83 12.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -154.66 148.05 25.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.538 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 26.2 mt -154.07 125.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.466 HG12 ' H ' ' A' ' 52' ' ' GLY . 58.8 t -80.05 120.49 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.083 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -45.64 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -22.28 4.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.466 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -45.14 151.68 0.82 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -2.25 12.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -89.76 -33.89 16.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.87 -38.1 12.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 58' ' ' GLY . 42.3 mm-40 -101.78 -27.59 12.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.59 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -33.13 -60.89 0.43 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.117 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.37 4.98 59.38 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.941 HD21 HG21 ' A' ' 45' ' ' VAL . 9.7 tp -69.65 168.62 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' ILE . 1.1 mt-30 -157.1 123.44 4.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.481 HG22 ' CD2' ' A' ' 63' ' ' HIS . 2.2 mt -37.97 151.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.481 ' CD2' HG22 ' A' ' 62' ' ' ILE . 30.9 m-70 66.12 49.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.927 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -114.0 171.51 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.597 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 13.7 ttt180 -134.96 85.27 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.615 HG23 HG12 ' A' ' 95' ' ' VAL . 1.5 mt -50.52 135.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.524 ' CD1' ' O ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -108.37 -42.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -148.19 150.88 34.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 110.258 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.954 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.94 117.04 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.693 ' HA ' HG12 ' A' ' 94' ' ' VAL . 0.4 OUTLIER 58.66 16.48 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.29 -1.17 54.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.71 127.35 39.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -82.58 126.29 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 11.3 mt -124.08 1.59 8.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 t -50.32 -38.33 41.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -112.64 21.84 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.7 178.03 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 p -116.25 -177.49 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.695 ' O ' HG23 ' A' ' 83' ' ' VAL . 31.4 t60 -64.66 -33.84 76.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.36 -50.79 62.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.91 -46.1 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 85' ' ' ALA . . . -54.69 -52.5 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 79' ' ' HIS . 48.5 t -55.86 -55.13 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -52.02 -40.04 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.62 -54.47 45.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.445 ' HE1' HD12 ' A' ' 14' ' ' LEU . 25.8 m-85 -65.64 -26.43 67.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -75.88 -48.34 21.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.1 p -83.39 -5.88 59.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -71.09 143.81 50.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -109.26 154.51 22.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.528 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.2 mt-10 -91.44 142.93 27.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.98 146.13 85.82 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.025 -0.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 19.7 mt -97.89 112.35 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 70' ' ' ASN . 7.2 p -84.07 112.17 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.954 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.84 147.42 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 2.7 tt0 -131.04 141.04 50.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.605 HG11 ' OD2' ' A' ' 64' ' ' ASP . 30.8 m -129.62 165.07 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.507 HD12 HD12 ' A' ' 67' ' ' ILE . 13.0 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.451 ' HA ' HD12 ' A' ' 98' ' ' LEU . 41.2 p -114.02 125.24 53.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 mt -117.49 156.44 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -108.77 140.88 41.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.541 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.98 133.97 34.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 66.4 t -98.46 116.9 42.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.558 HD12 HG21 ' A' ' 95' ' ' VAL . 66.7 mt -103.95 154.27 19.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.625 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.02 34.21 4.37 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -178.22 -179.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.967 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.33 -176.52 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.443 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.0 pt -150.63 162.64 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.494 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.7 pt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.444 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.444 HD13 ' O ' ' A' ' 42' ' ' GLY . 23.9 mm -111.68 120.62 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.598 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 48.5 m-85 -134.59 165.42 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.788 HG23 ' OD1' ' A' ' 64' ' ' ASP . 74.7 t -105.56 120.64 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.494 ' HB2' HG21 ' A' ' 26' ' ' ILE . 40.9 t -114.28 6.85 16.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.89 146.83 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.657 HG22 ' HB2' ' A' ' 55' ' ' ALA . 53.0 mt -150.31 131.36 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.612 HG12 ' H ' ' A' ' 52' ' ' GLY . 96.8 t -79.18 118.05 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -69.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -15.88 14.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.95 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.612 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -57.31 154.36 20.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -2.11 12.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -90.57 -33.19 15.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.657 ' HB2' HG22 ' A' ' 48' ' ' ILE . . . -91.58 -32.15 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -60.48 -83.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLY . 7.4 mm-40 -101.93 -24.21 14.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -34.36 -56.87 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.1 -0.05 62.01 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.872 HD11 ' OD2' ' A' ' 64' ' ' ASP . 7.1 tp -65.91 167.82 9.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 62' ' ' ILE . 2.0 tt0 -159.7 126.82 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.453 HG22 ' ND1' ' A' ' 63' ' ' HIS . 1.3 mt -37.71 153.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.453 ' ND1' HG22 ' A' ' 62' ' ' ILE . 11.3 m-70 62.72 51.45 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.585 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.872 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -113.85 168.56 9.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.598 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 7.6 ttt180 -132.24 83.74 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.529 HG23 HG12 ' A' ' 95' ' ' VAL . 1.6 mt -50.48 125.45 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.798 HG13 HD13 ' A' ' 98' ' ' LEU . 1.4 mm -98.55 -45.33 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -149.91 154.32 38.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.109 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -138.62 113.1 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.77 -50.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 69' ' ' VAL . . . 163.81 24.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -116.05 123.89 49.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.641 ' C ' HD23 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -61.84 113.24 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.641 HD23 ' C ' ' A' ' 73' ' ' ASP . 9.7 mt -115.81 0.6 13.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -63.1 -41.04 99.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -112.68 22.34 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -96.05 177.28 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -115.9 166.25 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 83' ' ' VAL . 56.5 t-80 -49.79 -38.62 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -52.79 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -67.05 -47.56 70.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.51 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -50.43 -48.18 56.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 79' ' ' HIS . 33.7 t -60.26 -55.49 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -50.23 -40.57 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -57.56 -56.4 22.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.909 ' CE1' HG21 ' A' ' 69' ' ' VAL . 33.7 m-85 -65.75 -26.04 67.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -38.57 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.1 p -100.68 6.8 44.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.372 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.56 145.57 47.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -115.54 150.79 36.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.5 mp0 -91.13 144.23 29.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.04 134.11 34.45 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.013 0.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.457 HG22 HG22 ' A' ' 95' ' ' VAL . 16.0 mt -85.4 110.01 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -86.2 110.66 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.109 HG13 HG23 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -115.63 151.02 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -131.73 136.68 47.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.691 HG11 ' OD2' ' A' ' 64' ' ' ASP . 17.1 m -130.65 162.0 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.798 HD13 HG13 ' A' ' 67' ' ' ILE . 4.5 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 p -115.28 116.39 28.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.7 mt -105.79 153.61 21.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.31 140.45 38.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.49 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.49 133.02 28.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -98.69 116.67 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD23 ' HA2' ' A' ' 58' ' ' GLY . 39.1 mt -105.66 154.62 20.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.568 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 2.8 mm? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 23' ' ' PHE . . . 102.22 50.95 1.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.455 ' HB3' ' O ' ' A' ' 22' ' ' GLY . 1.4 p90 178.51 172.9 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 0.721 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -132.7 159.58 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 pt -125.94 159.88 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.596 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.0 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.2 mm -100.63 119.54 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -138.02 150.15 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.47 HG21 HD21 ' A' ' 60' ' ' LEU . 85.2 t -92.21 125.2 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.596 ' HB2' HG21 ' A' ' 26' ' ' ILE . 20.9 t -113.13 -25.9 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 48' ' ' ILE . 1.1 tmtp? -127.56 152.55 47.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.57 HD11 ' HG ' ' A' ' 60' ' ' LEU . 3.3 mt -156.13 102.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.553 ' CG1' ' HA3' ' A' ' 52' ' ' GLY . 4.1 p -63.59 149.01 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.28 -66.9 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.2 t -44.14 -47.58 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.553 ' HA3' ' CG1' ' A' ' 49' ' ' VAL . . . -35.73 147.89 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.431 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -74.97 -7.0 18.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.568 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -80.12 -32.1 39.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -92.13 -27.52 17.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 1.8 mmmt -66.44 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.1 pt-20 -100.71 -26.49 13.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.634 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -34.07 -55.22 0.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.57 4.39 73.33 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.57 ' HG ' HD11 ' A' ' 48' ' ' ILE . 11.0 tp -65.91 158.97 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 62' ' ' ILE . 2.3 tt0 -147.18 123.49 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.701 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.1 mt -40.16 154.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.701 ' CD2' HG22 ' A' ' 62' ' ' ILE . 0.8 OUTLIER 62.67 38.55 11.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 13.0 m-20 -117.38 125.78 51.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -89.5 103.83 16.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.236 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.428 HG23 HG12 ' A' ' 95' ' ' VAL . 1.4 mt -57.48 142.49 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.655 ' CD1' HD13 ' A' ' 98' ' ' LEU . 1.6 mm -110.24 -48.8 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -145.84 152.63 39.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.979 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.55 117.73 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 56.84 18.04 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.8 -3.11 55.85 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.15 126.82 39.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.666 ' O ' HD23 ' A' ' 74' ' ' LEU . 7.4 t70 -80.03 135.31 36.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 73' ' ' ASP . 12.8 mt -132.93 9.24 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.7 p -60.47 -40.36 90.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 20.58 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -95.91 177.55 5.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.4 t -114.99 164.31 14.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.489 ' O ' HG23 ' A' ' 83' ' ' VAL . 33.8 t60 -49.41 -35.44 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -52.13 62.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -66.39 -47.79 72.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.01 -55.11 19.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' HIS . 33.7 t -52.84 -55.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -51.14 -46.55 62.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.76 -52.84 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.55 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.3 m-85 -67.09 -26.08 66.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -75.93 -42.15 49.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -88.14 -12.05 45.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -58.09 150.71 20.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' O ' ' CG1' ' A' ' 93' ' ' ILE . 0.3 OUTLIER -118.75 152.83 35.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -91.99 139.88 24.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -75.01 143.43 77.77 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.001 0.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.455 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 15.0 mt -95.62 111.51 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.7 OUTLIER -83.61 112.9 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.979 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -118.47 150.15 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -133.66 136.77 44.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.49 HG13 HD11 ' A' ' 12' ' ' LEU . 22.0 m -127.7 165.76 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.655 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.593 ' C ' HD13 ' A' ' 10' ' ' LEU . 4.2 p -114.03 120.29 40.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.053 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.593 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -106.2 158.11 17.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -106.75 140.61 39.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.67 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -139.71 134.5 32.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -100.05 117.03 44.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.716 HD23 ' HA2' ' A' ' 58' ' ' GLY . 27.5 mt -108.98 154.91 21.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.629 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 21' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.98 44.32 1.78 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -177.44 177.52 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 0.776 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -134.73 154.86 51.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 2.6 pt -123.97 154.04 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.492 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.8 pt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.622 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.622 HD13 ' O ' ' A' ' 42' ' ' GLY . 33.4 mm -121.08 121.98 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 0.778 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CE2' ' HG3' ' A' ' 65' ' ' ARG . 78.7 m-85 -137.75 153.39 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.635 HG11 HD11 ' A' ' 48' ' ' ILE . 93.8 t -93.31 113.5 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.492 ' HB2' HG21 ' A' ' 26' ' ' ILE . 9.6 t -98.84 -40.85 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 155.32 32.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.635 HD11 HG11 ' A' ' 45' ' ' VAL . 4.3 mt -151.92 108.74 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.547 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 43.1 t -64.18 128.03 25.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.66 -70.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.49 -19.03 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.458 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -55.85 152.95 16.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.0 13.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -90.28 -34.88 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.95 -27.2 18.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -66.2 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' GLY . 6.3 mm-40 -101.19 -25.07 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.716 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -34.92 -55.39 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.59 6.0 66.32 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 97' ' ' VAL . 7.3 tp -67.15 172.77 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -158.1 130.98 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.425 HG22 ' ND1' ' A' ' 63' ' ' HIS . 1.8 mt -47.55 156.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.425 ' ND1' HG22 ' A' ' 62' ' ' ILE . 11.5 m-70 58.01 47.69 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 40.8 m-20 -125.82 139.47 53.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.511 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 17.8 ttt180 -101.01 107.49 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.1 132.45 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.795 HD11 ' HB2' ' A' ' 98' ' ' LEU . 2.8 mm -96.13 -47.07 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -155.11 154.85 33.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.982 HG23 HG13 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -139.93 113.59 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 t30 74.13 -50.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 162.94 23.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.663 ' HB3' HD21 ' A' ' 74' ' ' LEU . 5.4 mtt180 -116.2 124.78 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.692 ' C ' HD23 ' A' ' 74' ' ' LEU . 2.4 t0 -62.86 110.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.692 HD23 ' C ' ' A' ' 73' ' ' ASP . 7.6 mt -114.05 8.42 17.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.7 p -66.73 -47.67 71.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -113.25 21.69 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -87.19 179.05 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 p -113.26 163.19 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.696 ' O ' HG23 ' A' ' 83' ' ' VAL . 51.2 t-80 -50.5 -30.63 13.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.56 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -52.08 42.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.76 -49.53 70.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.603 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -53.8 -56.26 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 79' ' ' HIS . 52.4 t -52.13 -54.11 15.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 88' ' ' THR . 24.0 tt0 -55.6 -41.33 73.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.709 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -58.51 -52.61 64.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 69' ' ' VAL . 21.2 m-85 -66.36 -24.97 66.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -50.63 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 84' ' ' GLU . 22.0 p -80.77 -12.75 59.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -56.95 140.16 49.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -107.05 153.09 23.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.529 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 13.2 mt-10 -92.83 141.07 23.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.98 145.26 83.46 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.049 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 11.7 mt -96.27 111.67 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.2 t -83.85 110.65 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.982 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -115.67 150.44 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.8 OUTLIER -131.76 139.87 49.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.67 ' CG2' HD21 ' A' ' 12' ' ' LEU . 4.6 m -130.48 163.82 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 67' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.627 ' C ' HD12 ' A' ' 10' ' ' LEU . 25.2 p -114.63 116.42 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.4 mp -105.35 150.16 25.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -101.65 140.81 35.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.75 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -136.34 135.53 38.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 52.8 t -99.42 116.41 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.692 HD12 ' HE1' ' A' ' 86' ' ' PHE . 33.5 mt -99.59 154.27 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.426 ' O ' HD13 ' A' ' 21' ' ' LEU . 25.8 m-70 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.61 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 3.8 mm? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.567 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 96.29 46.49 2.57 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.6 174.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -133.3 171.31 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.618 HD11 HG23 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -134.22 155.45 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.3 pt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.494 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 42' ' ' GLY . 23.8 mm -113.95 120.41 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 25.7 m-85 -135.72 168.88 18.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.878 HG21 HD21 ' A' ' 60' ' ' LEU . 56.4 t -107.0 126.81 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.525 ' HB2' HG21 ' A' ' 26' ' ' ILE . 48.2 t -121.68 -6.56 9.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HA ' HD11 ' A' ' 62' ' ' ILE . 4.9 tttp -144.97 137.47 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.492 HG13 ' CG1' ' A' ' 45' ' ' VAL . 3.4 mt -146.47 112.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.766 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.8 m -71.96 149.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.562 ' O ' ' C ' ' A' ' 51' ' ' SER . 41.3 m-20 -73.62 -92.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.562 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -25.5 -50.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.539 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -33.09 144.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.517 ' HA ' ' CG ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -75.0 -3.53 14.06 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -84.34 -21.38 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -92.67 -60.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.517 ' CG ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -52.21 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.626 ' O ' ' C ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -74.62 -58.03 3.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.626 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -12.59 -65.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . 97.06 -1.43 60.93 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.922 HD11 ' OD2' ' A' ' 64' ' ' ASP . 7.6 tp -64.33 168.54 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.63 133.01 14.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.735 HG22 ' ND1' ' A' ' 63' ' ' HIS . 4.9 mm -47.36 135.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.735 ' ND1' HG22 ' A' ' 62' ' ' ILE . 25.2 m80 73.95 59.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.922 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -117.8 173.9 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 9.7 ttt180 -133.8 82.75 2.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.587 HG23 HG12 ' A' ' 95' ' ' VAL . 2.1 mt -52.37 130.36 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.715 ' CD1' HD13 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -104.29 -41.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -147.47 150.48 34.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.065 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.05 115.97 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.37 13.98 6.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.07 1.47 55.98 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.08 124.36 37.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.654 ' O ' HD23 ' A' ' 74' ' ' LEU . 1.2 m-20 -73.11 122.62 22.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 73' ' ' ASP . 20.5 mt -127.05 5.39 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 p -55.36 -39.35 69.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -112.7 20.83 16.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -95.0 177.73 5.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -117.7 170.45 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.54 ' CE1' HG13 ' A' ' 25' ' ' ILE . 57.9 t60 -51.57 -42.9 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.591 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -52.12 65.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.95 -50.65 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.55 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.41 -53.69 21.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.618 HG23 HD11 ' A' ' 25' ' ' ILE . 17.2 t -52.57 -56.47 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -51.06 -42.0 60.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.35 -54.39 46.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' A' ' 69' ' ' VAL . 45.5 m-85 -68.83 -25.74 64.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -37.25 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 p -100.48 0.11 39.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.26 145.04 55.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.74 151.15 30.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.3 mp0 -92.01 141.44 25.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.97 142.75 75.7 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.023 -0.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 12.2 mt -93.93 111.39 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.5 t -83.58 111.17 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.065 HG13 HG23 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -115.84 151.44 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.3 OUTLIER -134.28 137.77 44.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.75 HG13 HD11 ' A' ' 12' ' ' LEU . 35.8 m -130.61 164.2 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.715 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.518 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.0 mptm? . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.938 ' C ' HD13 ' A' ' 10' ' ' LEU . 14.7 p -126.51 129.96 49.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.938 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -121.99 154.43 37.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -107.1 140.89 39.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.676 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.51 148.63 39.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -102.27 116.79 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD11 HD22 ' A' ' 60' ' ' LEU . 36.0 mt -103.34 154.87 18.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.603 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.67 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.25 -55.28 5.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.732 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -75.31 -179.02 4.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.771 . . . . 0.0 110.995 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -136.18 161.57 35.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.531 HG13 ' CD2' ' A' ' 79' ' ' HIS . 3.9 pt -128.32 159.85 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 pt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 77' ' ' ALA . 12.9 mm -92.87 129.14 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 27.9 m-85 -142.62 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.639 HG21 HD21 ' A' ' 60' ' ' LEU . 94.3 t -100.15 119.2 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -114.37 -5.08 12.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.94 146.61 35.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.665 HD12 ' N ' ' A' ' 62' ' ' ILE . 6.5 mt -154.15 113.65 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.86 HG22 ' H ' ' A' ' 52' ' ' GLY . 2.1 p -71.54 138.17 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 52' ' ' GLY . 0.6 OUTLIER -68.27 -84.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -24.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.86 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -51.55 157.56 2.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -74.97 -12.24 21.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -73.49 -38.22 65.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -94.16 -42.56 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -45.65 -83.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.9 mm-40 -101.16 -32.17 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.586 ' CA ' HD23 ' A' ' 14' ' ' LEU . . . -26.45 -66.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.01 1.03 54.92 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.732 HD23 ' CD2' ' A' ' 23' ' ' PHE . 6.0 tp -70.06 168.66 15.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -153.29 128.09 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 48' ' ' ILE . 3.0 mt -43.2 150.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.573 ' CD2' HG22 ' A' ' 62' ' ' ILE . 36.0 m-70 61.8 49.74 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.571 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -134.28 125.61 28.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.226 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.574 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 41.8 ttt180 -85.96 126.0 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.432 ' C ' HD13 ' A' ' 67' ' ' ILE . 1.2 mt -77.03 132.72 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 67' ' ' ILE . 1.6 mm -99.26 -55.74 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -137.6 154.94 49.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.021 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -141.0 115.56 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' VAL . 0.7 OUTLIER 55.35 19.19 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.16 -4.42 52.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -92.52 131.89 37.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.635 ' O ' HD23 ' A' ' 74' ' ' LEU . 1.5 m-20 -81.87 129.75 34.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 73' ' ' ASP . 8.5 mt -124.51 2.92 8.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.0 t -60.21 -39.45 86.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.27 21.01 15.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -99.99 167.92 10.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 81' ' ' GLN . 9.2 t -102.83 166.58 10.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.531 ' CD2' HG13 ' A' ' 25' ' ' ILE . 50.9 t-80 -50.65 -41.38 55.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -52.2 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.422 ' H ' HG23 ' A' ' 78' ' ' THR . 8.9 mt-30 -62.48 -49.09 76.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.473 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -51.58 -50.67 59.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 79' ' ' HIS . 40.4 t -57.6 -55.7 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.787 ' O ' HG23 ' A' ' 88' ' ' THR . 6.9 tt0 -52.86 -46.6 67.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.18 -50.41 61.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.921 ' CE1' HG21 ' A' ' 69' ' ' VAL . 29.5 m-85 -68.45 -25.68 65.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -43.84 56.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 84' ' ' GLU . 10.3 p -87.32 0.21 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.72 154.38 40.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 92' ' ' PRO . 0.1 OUTLIER -128.73 145.62 51.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.6 mp0 -83.64 142.82 43.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.99 134.96 38.29 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.013 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.478 HG22 HG22 ' A' ' 95' ' ' VAL . 26.5 mt -88.46 113.08 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' ASN . 43.0 t -82.6 110.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.021 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -120.28 151.03 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 7.0 tt0 -134.71 147.92 50.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.676 HG13 HD11 ' A' ' 12' ' ' LEU . 23.1 m -131.9 161.13 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 8' ' ' LYS . 11.6 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.653 ' O ' HD23 ' A' ' 98' ' ' LEU . 4.3 mptt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.857 ' C ' HD13 ' A' ' 10' ' ' LEU . 54.4 p -127.13 122.25 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.857 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -114.28 154.77 27.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.1 140.8 38.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.659 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.56 141.04 35.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -99.46 116.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.706 HD11 HD22 ' A' ' 60' ' ' LEU . 25.1 mt -101.3 155.1 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.424 ' C ' HD13 ' A' ' 21' ' ' LEU . 62.8 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.505 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 1.9 mm? . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.581 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 101.79 43.27 2.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.9 p90 -174.58 174.08 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.67 170.46 15.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -132.61 161.39 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' A' ' 46' ' ' SER . 6.3 pt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.1 mm -101.86 120.95 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 24.1 m-85 -137.85 148.64 45.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.442 HG21 HD21 ' A' ' 60' ' ' LEU . 99.8 t -90.0 126.94 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.457 ' HB2' HG21 ' A' ' 26' ' ' ILE . 20.6 t -119.08 -5.93 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.58 149.25 32.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.488 HD11 ' HG ' ' A' ' 60' ' ' LEU . 8.7 mt -154.34 116.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.581 HG22 ' CA ' ' A' ' 22' ' ' GLY . 2.0 m -70.78 149.66 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.5 OUTLIER -76.06 -90.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.551 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -25.76 -49.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.495 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -32.22 147.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.01 -8.17 19.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -79.26 -30.54 43.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -94.48 -33.65 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 22.9 mmtt -61.01 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 58' ' ' GLY . 42.4 mt-10 -102.09 -18.24 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 54' ' ' ALA . . . -33.61 -65.88 0.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.09 -10.87 34.1 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.706 HD22 HD11 ' A' ' 14' ' ' LEU . 6.2 tp -62.26 169.19 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -163.96 128.65 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.432 HG22 ' ND1' ' A' ' 63' ' ' HIS . 1.6 mt -39.55 156.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.432 ' ND1' HG22 ' A' ' 62' ' ' ILE . 11.5 m-70 57.63 51.06 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.06 118.97 18.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.579 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 57.9 ttt180 -83.49 116.64 22.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -70.01 136.21 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.466 HD12 HD12 ' A' ' 98' ' ' LEU . 1.1 mm -104.61 -48.54 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -144.29 151.86 39.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.027 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.65 117.04 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 94' ' ' VAL . 1.2 t30 57.08 19.96 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.3 -0.56 58.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.572 1.17 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.615 ' HG2' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -97.17 125.89 41.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.605 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -74.59 131.69 41.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.615 HD21 ' HG2' ' A' ' 72' ' ' ARG . 31.6 mt -123.9 0.63 8.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -60.08 -38.75 83.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.83 21.77 15.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -102.36 168.14 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 81' ' ' GLN . 8.5 t -102.98 176.35 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.426 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.542 ' O ' HG23 ' A' ' 83' ' ' VAL . 60.1 t60 -59.89 -38.4 82.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.557 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -52.16 63.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.449 ' H ' HG23 ' A' ' 78' ' ' THR . 15.8 mt-30 -61.78 -51.4 68.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -50.47 -54.79 19.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 79' ' ' HIS . 40.9 t -53.32 -54.96 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.73 -43.04 62.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.661 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.11 -53.6 55.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.663 ' CE1' HG21 ' A' ' 69' ' ' VAL . 39.4 m-85 -65.82 -25.06 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -76.73 -49.72 15.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 50.5 p -82.01 -10.52 59.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -62.73 153.32 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 150.07 46.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.4 mp0 -87.83 143.99 34.29 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.06 132.72 28.51 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.976 -2.51 . . . . 0.0 110.973 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.481 HG22 HG22 ' A' ' 95' ' ' VAL . 25.5 mt -85.65 111.83 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 70' ' ' ASN . 40.4 t -82.08 110.13 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.027 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.95 151.11 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.6 tt0 -135.14 141.78 46.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.659 HG13 HD11 ' A' ' 12' ' ' LEU . 30.7 m -126.46 165.47 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 8' ' ' LYS . 10.5 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -160.75 105.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -156.44 105.15 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.32 176.21 20.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.98 -61.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 0.727 . . . . 0.0 109.988 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -152.48 170.08 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.973 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.43 179.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.13 154.62 44.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.977 ' C ' HD13 ' A' ' 10' ' ' LEU . 84.1 p -117.85 125.98 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.977 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -119.4 156.94 29.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -108.82 141.2 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.431 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.509 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.7 135.73 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.1 117.12 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.615 HD23 ' HA2' ' A' ' 58' ' ' GLY . 33.5 mt -107.99 154.68 21.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -133.64 -179.97 5.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.585 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -123.35 108.14 12.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.05 -36.82 72.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.11 84.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 52.67 36.17 47.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -159.28 96.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -48.84 -35.43 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.95 31.4 4.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -172.71 179.32 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -133.8 157.99 44.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' A' ' 82' ' ' ALA . 1.4 pt -124.69 160.17 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.679 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.6 pt -132.1 164.72 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.21 -178.45 23.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.28 91.74 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.55 136.77 19.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 63.39 5.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -147.65 111.61 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 32' ' ' VAL . 14.1 m -107.59 64.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.88 143.96 54.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -43.71 146.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -65.42 124.67 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.588 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -168.78 -53.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.61 -138.56 5.74 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -43.64 120.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 110.025 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -136.83 170.47 16.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 m 63.01 153.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.049 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -115.38 168.01 10.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.427 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -144.26 153.74 25.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.501 HD11 ' O ' ' A' ' 77' ' ' ALA . 24.6 mm -113.29 119.78 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 42.8 m-85 -131.73 162.97 29.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.656 HG21 HD21 ' A' ' 60' ' ' LEU . 88.9 t -100.06 120.64 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.679 ' HB2' HG21 ' A' ' 26' ' ' ILE . 17.6 t -107.97 -18.77 13.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -142.76 157.56 44.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 55' ' ' ALA . 14.2 mt -153.21 121.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -76.27 118.3 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.6 -62.23 2.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -17.43 8.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.031 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.04 156.18 52.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.38 12.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.415 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -85.26 -34.63 21.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 48' ' ' ILE . . . -92.12 -28.79 16.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -64.78 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 58' ' ' GLY . 8.3 pt-20 -102.41 -20.56 14.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.615 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -33.53 -59.12 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.15 -12.75 63.67 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD21 HG21 ' A' ' 45' ' ' VAL . 4.4 tp -49.78 174.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.446 ' OE1' ' NH1' ' A' ' 99' ' ' ARG . 0.9 OUTLIER -152.64 118.76 5.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 48' ' ' ILE . 1.7 mm -40.1 137.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 45' ' ' VAL . 31.3 m170 67.15 53.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.66 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -128.46 133.56 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.558 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.5 ttt180 -86.88 116.95 25.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.49 132.86 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.792 HG13 HD13 ' A' ' 98' ' ' LEU . 2.0 mm -99.88 -50.75 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -144.88 154.43 42.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.049 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.48 116.33 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.32 16.38 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.99 -1.24 56.41 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.91 126.1 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.601 ' O ' HD23 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -78.34 128.93 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 73' ' ' ASP . 6.4 mt -133.07 10.43 4.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.442 ' OG ' ' NH2' ' A' ' 65' ' ' ARG . 11.8 t -55.92 -40.57 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.048 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -112.89 21.47 15.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.501 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -93.62 175.47 6.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.3 t -113.1 168.13 9.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.541 ' O ' HG23 ' A' ' 83' ' ' VAL . 51.2 t60 -49.66 -41.41 42.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -52.46 64.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.8 -51.74 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' A' ' 25' ' ' ILE . . . -50.63 -51.37 49.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 79' ' ' HIS . 40.2 t -56.39 -55.66 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.37 -44.36 72.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -55.28 -55.6 29.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.836 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.2 m-85 -64.46 -25.71 68.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -76.13 -50.38 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.6 p -79.54 -5.21 54.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.27 150.89 48.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -119.9 151.06 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -89.55 141.61 28.82 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.03 144.67 81.66 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.004 0.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.503 HG22 HG22 ' A' ' 95' ' ' VAL . 23.6 mt -96.34 111.29 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -83.81 110.32 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.049 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.95 151.28 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -132.39 139.15 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.509 HG13 HD11 ' A' ' 12' ' ' LEU . 13.9 m -125.71 164.52 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.792 HD13 HG13 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -111.99 107.96 17.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.811 ' HB2' HD21 ' A' ' 10' ' ' LEU . 8.3 mtm180 -113.6 134.41 54.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -178.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.0 t -47.56 154.99 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -47.6 79.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -118.57 97.11 0.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 125.18 9.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 p 57.27 164.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.29 93.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -145.66 154.89 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.013 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.78 122.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.77 119.72 2.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -84.76 136.93 33.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.87 111.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.94 -121.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.62 ' O ' HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -148.33 149.13 31.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 p -127.02 115.99 20.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD12 ' NH1' ' A' ' 99' ' ' ARG . 6.8 mt -106.74 155.69 19.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -107.82 140.75 40.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -139.47 137.15 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 11.9 t -100.67 117.15 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.791 HD22 ' HA ' ' A' ' 54' ' ' ALA . 48.6 mt -110.13 154.53 23.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -122.1 -174.69 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HG3' HD11 ' A' ' 93' ' ' ILE . 2.3 mtm105 -126.44 89.9 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.32 74.09 9.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER 70.43 77.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 37.17 62.88 0.83 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.82 103.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.794 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.1 -32.54 71.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.59 28.69 5.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CE2' HG23 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -170.48 -178.53 2.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 0.757 . . . . 0.0 110.962 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -125.01 166.88 15.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.541 HG23 ' CE2' ' A' ' 23' ' ' PHE . 1.1 pt -135.3 150.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 46' ' ' SER . 1.1 pt -135.53 166.52 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.72 -46.21 1.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.66 144.42 30.3 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -165.54 156.35 12.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 75.47 3.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -151.82 139.13 19.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.631 ' O ' HG23 ' A' ' 32' ' ' VAL . 29.1 m -124.54 74.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.16 144.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -121.59 -54.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -172.67 -64.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.636 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -148.0 96.55 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.04 -95.77 0.22 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.58 160.27 41.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 t -56.53 144.94 29.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.8 p -115.78 -53.34 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 54.75 172.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.702 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -147.18 164.25 28.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.702 HD13 ' O ' ' A' ' 42' ' ' GLY . 26.4 mm -124.57 127.33 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 0.776 . . . . 0.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE1' ' HG3' ' A' ' 65' ' ' ARG . 28.7 m-85 -137.14 160.7 38.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.555 HG11 HD11 ' A' ' 48' ' ' ILE . 94.0 t -100.29 129.26 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.543 ' HB2' HG21 ' A' ' 26' ' ' ILE . 8.8 t -117.38 -38.46 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.52 135.56 55.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.555 HD11 HG11 ' A' ' 45' ' ' VAL . 14.4 mt -133.88 123.68 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.739 HG12 ' H ' ' A' ' 52' ' ' GLY . 86.7 t -78.15 124.84 37.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -60.05 -76.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -27.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.739 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -53.2 155.16 6.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.3 Cg_endo -75.02 -2.52 12.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.791 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -83.53 -39.57 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.531 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.14 -41.47 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -51.15 -83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 58' ' ' GLY . 43.1 mt-10 -101.73 -28.07 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.735 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -33.53 -55.51 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' LEU . . . 95.37 -12.16 68.18 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 45' ' ' VAL . 6.2 tp -47.16 172.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -155.18 122.98 5.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.547 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.8 mt -41.64 144.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.518 ' CG ' HG22 ' A' ' 62' ' ' ILE . 2.8 m-70 63.16 53.3 2.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -128.52 130.19 47.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.551 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 48.3 ttt180 -88.48 113.43 24.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 mt -65.74 141.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.571 HD12 HD12 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -109.75 -47.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -145.4 152.3 39.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.001 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.26 116.73 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER 57.7 18.07 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.65 -2.78 55.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.03 124.73 40.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.491 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -78.19 131.08 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.542 HD11 HG11 ' A' ' 69' ' ' VAL . 14.7 mt -128.54 5.49 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.365 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 t -51.59 -40.56 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.958 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.77 21.71 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.511 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -96.28 168.31 10.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -105.07 172.12 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.442 ' O ' HG23 ' A' ' 83' ' ' VAL . 56.9 t60 -53.08 -44.13 67.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.94 -49.62 73.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -61.29 -56.59 18.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.19 -52.43 26.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 79' ' ' HIS . 26.0 t -52.22 -55.69 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.93 -46.93 84.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.548 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -54.65 -53.55 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 69' ' ' VAL . 21.2 m-85 -66.57 -25.6 66.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -76.35 -49.23 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.6 p -80.06 -9.62 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -61.85 147.55 46.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -114.59 151.51 33.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -90.85 141.04 26.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.0 146.18 85.95 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.996 -0.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.447 HD11 ' HG3' ' A' ' 16' ' ' ARG . 18.4 mt -97.75 112.73 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' ASN . 45.5 t -83.55 110.54 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.001 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.07 151.05 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 5.3 tt0 -133.85 145.05 49.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 15.6 m -130.64 165.05 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 8' ' ' LYS . 11.9 mt -112.45 115.05 28.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.43 ' NH1' HD12 ' A' ' 10' ' ' LEU . 4.2 mtm180 -114.82 139.54 49.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.33 172.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.0 t -115.7 118.94 34.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.4 m -159.26 -49.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.014 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.72 -156.38 15.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 174.35 12.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.2 p -90.68 142.9 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.97 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t -97.62 90.1 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.6 92.24 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.89 154.88 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.79 175.6 46.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p 58.35 111.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 110.018 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -153.45 93.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.02 178.51 19.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' O ' HD23 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -99.98 148.16 24.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.669 ' C ' HD13 ' A' ' 10' ' ' LEU . 88.7 p -126.23 122.02 34.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.747 HD22 ' H ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.06 148.3 39.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -102.18 140.8 35.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.582 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -138.65 135.28 34.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.66 117.64 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.732 HD22 ' HA ' ' A' ' 54' ' ' ALA . 31.5 mt -110.19 155.28 22.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -126.62 -171.4 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' NH2' ' HA ' ' A' ' 87' ' ' LYS . 1.4 mtt180 -119.78 109.82 16.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.246 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.63 85.16 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.28 79.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.13 64.67 1.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.01 114.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.88 -27.17 67.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.8 29.35 6.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.32 -174.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.76 162.47 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.5 pt -127.71 159.83 37.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.524 HG21 ' CB ' ' A' ' 46' ' ' SER . 3.4 pt -126.22 163.97 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.15 -153.74 17.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.118 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.41 -128.0 27.01 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.59 163.9 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.82 38.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -151.77 -48.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t 66.75 -75.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.3 OUTLIER -41.15 150.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.7 t30 73.93 113.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -104.49 143.15 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.632 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.92 146.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.32 71.67 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 p -175.31 -69.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.39 163.66 13.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.47 -74.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -133.43 -174.61 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.36 136.28 10.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.6 mm -100.78 119.17 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 60.9 m-85 -137.59 158.06 45.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.652 HG21 HD21 ' A' ' 60' ' ' LEU . 93.7 t -99.35 121.89 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.524 ' CB ' HG21 ' A' ' 26' ' ' ILE . 46.6 t -116.2 -1.81 12.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' O ' ' CG1' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -151.38 155.07 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 8.0 mt -155.61 141.72 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 52' ' ' GLY . 99.0 t -93.52 127.26 45.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -68.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -14.91 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.647 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -63.82 156.41 43.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.4 Cg_endo -74.96 -2.02 11.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.732 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -83.55 -39.39 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.31 -51.33 5.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -41.54 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 58' ' ' GLY . 41.8 mt-10 -101.59 -30.72 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.341 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.732 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -32.29 -61.56 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.97 -12.43 60.7 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 45' ' ' VAL . 7.7 tp -50.26 172.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -163.24 125.75 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.452 HG22 ' ND1' ' A' ' 63' ' ' HIS . 1.6 mt -39.53 156.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.452 ' ND1' HG22 ' A' ' 62' ' ' ILE . 9.5 m-70 57.82 49.19 12.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 7.0 m-20 -131.75 132.44 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 25.4 ttt180 -95.37 118.55 32.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.97 137.85 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.483 HD12 HD12 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -105.7 -48.03 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -145.53 152.18 39.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.006 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.36 115.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 58.64 16.88 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.8 5.84 54.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.04 128.22 48.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.833 ' O ' HD23 ' A' ' 74' ' ' LEU . 9.7 t70 -78.34 131.37 36.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.833 HD23 ' O ' ' A' ' 73' ' ' ASP . 9.4 mt -130.47 7.28 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.9 p -61.07 -38.83 87.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -112.43 18.94 18.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -96.66 174.63 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 t -111.03 174.74 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.581 ' O ' HG23 ' A' ' 83' ' ' VAL . 64.0 t60 -57.07 -38.56 73.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -52.0 65.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.77 -47.91 73.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.68 -53.63 49.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 79' ' ' HIS . 45.2 t -54.97 -55.57 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 88' ' ' THR . 5.2 tt0 -50.91 -47.65 60.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -52.3 -53.01 49.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' A' ' 69' ' ' VAL . 23.2 m-85 -64.44 -25.84 68.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HA ' ' NH2' ' A' ' 16' ' ' ARG . 17.0 ttmm -76.73 -49.19 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.802 HG23 ' O ' ' A' ' 84' ' ' GLU . 14.1 p -79.81 -3.27 47.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.16 150.47 43.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -120.99 150.63 40.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 3.6 mp0 -87.18 142.02 33.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.99 144.06 79.77 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -0.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.481 HG22 HG22 ' A' ' 95' ' ' VAL . 23.8 mt -97.22 112.32 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.1 t -83.5 110.62 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.006 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.82 150.86 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 2.0 tt0 -133.7 142.98 48.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.582 HG13 HD11 ' A' ' 12' ' ' LEU . 26.0 m -127.52 165.43 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.483 HD12 HD12 ' A' ' 67' ' ' ILE . 10.3 mt -113.93 119.9 38.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.636 ' HB2' HD21 ' A' ' 10' ' ' LEU . 13.1 mtt180 -124.8 138.23 54.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -172.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.3 t -95.73 126.48 41.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m 57.27 89.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.39 -166.98 3.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.58 42.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.67 -62.44 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.46 166.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 64.95 106.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -63.15 154.94 29.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.56 152.89 21.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.27 141.46 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -82.73 149.98 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.58 120.64 2.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' O ' HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -122.18 157.96 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.7 p -118.46 120.96 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' CD1' ' CZ ' ' A' ' 99' ' ' ARG . 3.1 mt -112.04 156.94 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.36 140.53 44.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.473 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.4 135.03 29.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.28 117.46 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.725 HD23 ' HA2' ' A' ' 58' ' ' GLY . 52.5 mt -108.29 153.98 22.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -125.81 171.21 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 mtm105 -114.16 113.56 24.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -105.04 74.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.96 77.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 37.89 61.58 1.12 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.448 1.093 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.36 98.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HG ' ' CD1' ' A' ' 86' ' ' PHE . 4.6 mm? -60.08 -32.94 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.07 30.58 4.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -173.46 -178.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 111.031 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.36 163.52 30.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.548 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.9 pt -128.19 160.76 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.487 HG21 ' CB ' ' A' ' 46' ' ' SER . 3.6 pt -126.33 165.15 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.48 -153.44 17.44 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 -98.98 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 65.48 137.2 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 72.08 4.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.8 p -154.96 163.86 39.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 p -176.85 -39.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 43.17 77.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -160.1 119.06 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -93.63 87.55 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -174.58 -60.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.13 99.05 0.8 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.82 166.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.761 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.3 p -156.96 139.33 14.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.69 121.33 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -139.08 176.63 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.61 124.16 4.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 77' ' ' ALA . 9.0 mm -92.64 130.58 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CE1' ' HG3' ' A' ' 65' ' ' ARG . 51.8 m-85 -145.57 154.67 42.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.673 HG21 HD21 ' A' ' 60' ' ' LEU . 95.7 t -95.31 115.98 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.487 ' CB ' HG21 ' A' ' 26' ' ' ILE . 38.6 t -112.51 -8.56 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -143.38 146.08 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.583 HD11 HG11 ' A' ' 45' ' ' VAL . 22.9 mt -151.3 126.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' H ' ' A' ' 52' ' ' GLY . 93.9 t -81.56 133.65 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.12 -80.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.87 -27.34 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.684 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -50.14 153.49 3.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.572 1.17 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -2.07 12.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -86.16 -40.97 15.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.582 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.25 -28.55 17.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -64.7 -82.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.4 mm-40 -101.45 -26.06 13.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.725 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -35.25 -59.67 0.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.92 4.47 60.2 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.673 HD21 HG21 ' A' ' 45' ' ' VAL . 8.2 tp -65.05 172.35 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -155.44 125.45 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.562 HG22 ' CD2' ' A' ' 63' ' ' HIS . 4.0 mt -45.38 152.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.562 ' CD2' HG22 ' A' ' 62' ' ' ILE . 39.8 m-70 62.36 45.89 6.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 30.5 m-20 -126.08 138.13 53.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.549 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 18.2 ttt180 -99.37 114.07 26.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.525 HD13 ' HZ ' ' A' ' 86' ' ' PHE . 4.7 mt -64.88 140.79 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.515 HD12 HD12 ' A' ' 98' ' ' LEU . 1.3 mm -108.31 -48.26 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -146.34 152.37 39.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.969 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.82 116.22 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.15 17.32 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.12 -0.85 56.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.04 126.55 38.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.15 124.23 29.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.5 HD11 ' CG1' ' A' ' 69' ' ' VAL . 10.9 mt -125.35 4.22 7.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 p -52.0 -39.28 59.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -112.5 21.6 15.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.486 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -96.94 166.79 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 79' ' ' HIS . 8.7 t -99.93 -174.37 2.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.548 ' CD2' HG13 ' A' ' 25' ' ' ILE . 39.2 t-80 -65.58 -43.24 90.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -48.98 79.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.402 ' H ' HG23 ' A' ' 78' ' ' THR . 37.7 mt-30 -62.76 -54.38 40.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.453 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -51.38 -54.57 25.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' HIS . 38.1 t -52.4 -55.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.518 ' O ' HG23 ' A' ' 88' ' ' THR . 3.7 tt0 -52.23 -46.02 65.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.45 -51.54 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.526 ' CE1' HG21 ' A' ' 69' ' ' VAL . 22.7 m-85 -67.62 -25.97 66.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -76.79 -38.85 53.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 84' ' ' GLU . 64.2 p -93.41 3.12 56.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -74.62 145.85 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' CG1' ' A' ' 93' ' ' ILE . 2.5 mmmt -110.8 152.92 26.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.2 OUTLIER -93.79 141.36 23.67 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -75.01 142.6 75.25 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.03 -2.487 . . . . 0.0 111.004 0.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 12.2 mt -93.79 113.35 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.0 t -84.94 111.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.969 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -116.2 151.14 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.5 tt0 -134.83 141.05 46.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.473 ' CG2' HD21 ' A' ' 12' ' ' LEU . 4.9 m -128.19 164.59 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 67' ' ' ILE . 11.1 mt -108.66 113.72 26.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -125.0 136.85 54.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.459 ' H ' ' NE ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -62.38 -59.81 4.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 100' ' ' ARG . 1.2 t 39.61 75.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -167.12 78.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.051 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 164.65 115.81 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 77.53 3.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.4 p -71.94 150.6 43.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 m -156.31 144.59 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.35 124.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.12 140.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.94 168.74 19.8 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.08 91.4 6.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.959 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 t -92.69 166.08 12.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.63 -116.51 9.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.742 ' O ' HD23 ' A' ' 98' ' ' LEU . 4.7 mptt -152.22 157.35 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.2 p -131.37 117.58 19.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -111.3 153.61 25.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -106.27 141.17 38.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -138.74 133.93 32.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -101.22 116.41 44.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' A' ' 54' ' ' ALA . 12.6 mt -109.08 154.66 21.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -129.31 -178.03 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.578 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -124.53 90.5 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.27 -51.03 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.6 p -165.24 82.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 51.22 41.9 48.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -161.12 110.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.967 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.78 -29.32 69.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.99 29.11 5.34 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.501 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -175.42 179.27 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.982 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -132.58 166.71 21.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 4.5 pt -133.14 162.82 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.536 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.1 pt -127.44 164.57 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.74 -167.41 14.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.09 -63.76 0.72 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.63 164.09 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -59.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.0 m 61.88 158.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.8 t -121.4 -64.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -88.12 162.93 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.93 -55.6 3.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.35 161.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -44.47 153.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.15 97.58 2.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.93 94.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 m 63.79 128.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' GLU . 2.1 m -167.22 122.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' SER . 4.4 pm0 41.89 -163.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.85 149.07 11.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.449 HD11 ' O ' ' A' ' 77' ' ' ALA . 12.5 mm -99.64 124.62 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CZ ' ' HD2' ' A' ' 65' ' ' ARG . 47.1 m-85 -140.67 160.71 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.414 HG21 HD21 ' A' ' 60' ' ' LEU . 90.4 t -101.47 123.32 54.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.536 ' HB2' HG21 ' A' ' 26' ' ' ILE . 30.3 t -119.0 -5.03 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -148.17 144.03 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 62' ' ' ILE . 16.1 mt -145.1 124.73 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.489 HG12 ' H ' ' A' ' 52' ' ' GLY . 61.5 t -79.79 123.07 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -66.08 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.48 -18.8 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.489 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -56.77 151.45 25.17 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.437 1.086 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.63 12.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.708 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -90.54 -31.46 16.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.63 -38.98 12.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 58' ' ' GLY . 4.2 mm-40 -102.19 -27.48 12.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.38 -65.32 0.23 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.438 1.087 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.58 -14.37 35.46 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.501 ' CD2' ' CD2' ' A' ' 23' ' ' PHE . 8.8 tp -46.22 170.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -161.9 126.27 3.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.557 ' N ' HD12 ' A' ' 48' ' ' ILE . 2.8 mt -42.2 146.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.5 ' CG ' HG22 ' A' ' 62' ' ' ILE . 26.0 m170 68.15 41.19 2.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 109.596 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -123.32 125.53 45.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.476 ' HD2' ' CZ ' ' A' ' 44' ' ' PHE . 37.9 ttt180 -86.76 120.33 27.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.414 HG23 HG12 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -71.88 135.27 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.556 HD12 HD12 ' A' ' 98' ' ' LEU . 2.5 mm -102.28 -52.14 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -144.06 153.46 42.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.0 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.53 116.37 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.16 22.09 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.29 -0.84 62.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 125.06 40.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.356 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.908 ' O ' HD23 ' A' ' 74' ' ' LEU . 39.1 t0 -77.46 136.73 38.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.908 HD23 ' O ' ' A' ' 73' ' ' ASP . 11.3 mt -137.73 13.94 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -64.55 -42.42 95.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.89 21.48 15.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -95.05 167.24 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 81' ' ' GLN . 10.0 t -99.73 166.01 11.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.504 ' O ' HG23 ' A' ' 83' ' ' VAL . 75.0 t60 -50.45 -39.81 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.578 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -52.12 66.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.412 ' H ' HG23 ' A' ' 78' ' ' THR . 7.4 mt-30 -61.38 -48.13 82.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.44 -56.44 18.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 79' ' ' HIS . 47.3 t -52.07 -53.31 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.59 -48.47 63.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.61 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.82 -52.07 61.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.544 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.6 m-85 -67.66 -25.81 65.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 83' ' ' VAL . 11.1 ttmm -76.22 -45.39 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.7 p -86.26 -9.35 56.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -60.69 142.91 55.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.53 152.99 24.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.5 mp0 -91.84 139.92 24.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.97 151.03 96.4 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.045 -0.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 14.5 mt -102.32 110.65 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -83.78 111.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.0 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.04 151.81 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.118 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.0 OUTLIER -133.36 138.44 46.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 11.3 m -126.24 165.36 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 8' ' ' LYS . 14.3 mt -111.52 117.16 32.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -117.95 136.81 53.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.528 ' H ' ' NE ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -39.01 149.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 102' ' ' SER . 9.2 t -53.17 -50.25 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.441 ' N ' HG23 ' A' ' 101' ' ' THR . 0.4 OUTLIER 75.84 113.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -142.82 -172.75 14.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 149.73 36.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.82 153.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.17 163.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.016 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -143.47 154.25 43.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.993 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 p -107.59 158.32 17.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.96 165.42 0.73 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.83 90.01 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m 62.29 81.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.958 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.67 173.69 7.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.33 178.69 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.808 ' C ' HD13 ' A' ' 10' ' ' LEU . 1.3 p -139.23 122.62 17.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.838 HD21 ' HB2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -111.94 157.06 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -106.33 140.24 39.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.835 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -139.99 135.07 32.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 35.4 t -99.08 116.87 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD12 HG21 ' A' ' 95' ' ' VAL . 31.9 mt -108.28 154.26 22.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -128.03 178.33 6.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.562 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.621 ' NE ' HD22 ' A' ' 21' ' ' LEU . 8.3 mtp180 -118.18 98.9 6.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.88 82.51 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.87 65.21 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.54 53.76 36.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -163.04 103.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.983 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.621 HD22 ' NE ' ' A' ' 16' ' ' ARG . 4.3 mm? -57.04 -32.1 65.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 108.86 21.65 7.36 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.72 -168.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -140.22 172.37 12.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.519 HG13 ' CE1' ' A' ' 79' ' ' HIS . 1.8 pt -135.89 165.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.61 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.0 pt -123.9 165.09 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.69 -178.43 2.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.07 -178.15 26.51 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -95.44 146.72 31.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.66 21.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 p -177.43 102.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 32' ' ' VAL . 11.5 p -137.91 67.18 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.23 93.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 36' ' ' ASP . 2.4 p-10 178.39 150.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -57.56 115.91 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.546 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.4 OUTLIER 62.63 168.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.22 -64.44 3.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.95 -78.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.968 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.24 150.81 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 t -171.28 156.08 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 61.72 156.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.62 147.13 16.63 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.42 HD11 ' O ' ' A' ' 77' ' ' ALA . 24.2 mm -105.67 134.53 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.454 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 72.7 m-85 -141.31 166.54 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.664 HG21 HD21 ' A' ' 60' ' ' LEU . 92.9 t -109.9 115.88 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.61 ' HB2' HG21 ' A' ' 26' ' ' ILE . 46.9 t -107.12 -4.74 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.71 153.74 34.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.587 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 14.4 mt -153.18 118.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.539 HG12 ' H ' ' A' ' 52' ' ' GLY . 55.2 t -69.52 120.94 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -62.06 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -11.96 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.539 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -67.75 156.2 52.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.8 11.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.545 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -84.94 -37.49 20.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.587 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.09 -40.34 11.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 58' ' ' GLY . 26.7 mm-40 -102.06 -27.58 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.14 -63.02 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.76 3.13 55.16 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.664 HD21 HG21 ' A' ' 45' ' ' VAL . 9.5 tp -67.71 167.53 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -151.91 128.68 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.539 HG22 ' CG ' ' A' ' 63' ' ' HIS . 4.4 mt -46.84 153.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.539 ' CG ' HG22 ' A' ' 62' ' ' ILE . 35.8 m-70 60.76 46.28 9.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.644 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 7.4 m-20 -124.8 139.79 53.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 6.6 ttt180 -98.18 116.58 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.35 136.75 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.841 HD11 ' HB2' ' A' ' 98' ' ' LEU . 1.7 mm -103.17 -50.0 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -144.54 153.16 41.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.027 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.3 117.52 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.39 17.0 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.07 -0.42 57.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.69 124.75 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -78.11 120.58 23.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.511 HD11 ' CG1' ' A' ' 69' ' ' VAL . 13.6 mt -120.29 -3.64 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.37 -35.99 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -112.82 22.61 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -102.59 170.42 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.415 ' CA ' HD11 ' A' ' 43' ' ' ILE . 5.5 t -109.07 168.04 9.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.519 ' CE1' HG13 ' A' ' 25' ' ' ILE . 78.0 t60 -49.4 -45.03 45.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -52.1 63.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -64.16 -50.04 69.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -48.95 -52.52 24.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.7 t -52.55 -55.84 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.88 -41.61 74.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.92 -53.65 54.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.687 ' CE1' HG21 ' A' ' 69' ' ' VAL . 30.7 m-85 -67.59 -26.61 66.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -44.02 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.3 p -87.43 -0.13 56.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.59 148.38 48.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -117.97 151.32 37.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -90.23 140.36 27.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 144.83 82.21 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 17.0 mt -96.59 111.4 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.9 t -83.58 110.9 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.027 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.42 150.87 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 7.3 tt0 -133.15 146.07 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.835 HG13 HD11 ' A' ' 12' ' ' LEU . 18.1 m -132.1 164.89 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.841 ' HB2' HD11 ' A' ' 67' ' ' ILE . 0.8 OUTLIER -113.49 106.61 14.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.838 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -99.26 139.82 34.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.72 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.7 p -70.19 128.23 35.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.67 123.01 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.46 146.85 17.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 138.33 22.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.69 115.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.03 -58.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 57.1 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m -144.26 140.66 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.55 179.54 16.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p -118.6 112.15 19.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.82 172.06 10.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.71 -179.1 10.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -116.21 175.51 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.938 ' C ' HD13 ' A' ' 10' ' ' LEU . 11.5 p -128.43 126.45 40.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.938 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -115.67 155.32 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -108.51 139.99 42.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.937 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.45 136.83 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.48 117.47 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.735 HD22 ' HA ' ' A' ' 54' ' ' ALA . 31.0 mt -110.96 155.61 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -124.87 170.98 10.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.538 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HG3' HD11 ' A' ' 93' ' ' ILE . 5.3 mtm105 -113.33 86.67 2.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.87 85.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.3 p 57.24 73.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.65 58.91 3.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -170.04 96.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.432 ' HG ' ' CD1' ' A' ' 86' ' ' PHE . 3.8 mm? -53.81 -34.08 58.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.78 39.4 3.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.443 ' CE2' HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -178.4 -179.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.987 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -122.71 166.69 14.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.619 HG13 ' CE1' ' A' ' 79' ' ' HIS . 2.9 pt -139.78 148.91 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.369 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.545 HG21 ' HB2' ' A' ' 46' ' ' SER . 0.9 OUTLIER -136.67 166.35 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.59 132.72 7.74 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.09 -49.44 0.34 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -44.19 134.5 4.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 171.61 17.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.3 m -55.5 171.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.2 t -41.1 -61.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.21 94.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 71.42 -65.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 45.21 82.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.82 115.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.24 51.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.91 173.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.76 . . . . 0.0 109.963 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -69.3 174.19 5.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -149.36 76.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -144.81 155.27 43.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.705 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -162.07 -178.05 35.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.705 HD13 ' O ' ' A' ' 42' ' ' GLY . 31.8 mm -128.45 125.54 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.61 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 60.2 m-85 -137.4 162.73 32.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.826 HG21 HD21 ' A' ' 60' ' ' LEU . 73.2 t -103.69 122.61 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.545 ' HB2' HG21 ' A' ' 26' ' ' ILE . 11.0 t -106.13 -40.24 5.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.81 144.72 48.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.628 HD11 HG11 ' A' ' 45' ' ' VAL . 28.0 mt -140.42 121.83 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.89 118.61 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 52' ' ' GLY . 11.1 m-20 -49.81 -83.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t -40.41 -29.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 50' ' ' ASP . . . -48.61 152.19 2.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.2 12.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.735 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -84.26 -38.48 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.613 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.74 -42.82 9.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -49.46 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 58' ' ' GLY . 12.0 pt-20 -101.93 -28.79 12.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.718 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -32.25 -50.86 0.38 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.68 4.83 75.53 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.858 HD11 ' OD2' ' A' ' 64' ' ' ASP . 7.1 tp -67.99 171.25 7.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -157.74 126.85 5.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.517 HG22 ' CG ' ' A' ' 63' ' ' HIS . 3.1 mt -40.9 147.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.517 ' CG ' HG22 ' A' ' 62' ' ' ILE . 23.7 m170 65.54 55.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.858 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -115.6 169.69 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.61 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 17.1 ttt180 -132.34 83.54 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.568 HG23 HG12 ' A' ' 95' ' ' VAL . 1.9 mt -50.3 133.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -106.96 -40.69 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -148.93 149.18 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.23 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.972 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -138.99 116.51 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t30 61.69 14.83 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.94 5.25 56.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.46 125.12 43.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.34 121.07 23.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 82' ' ' ALA . 16.4 mt -123.14 2.28 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -50.23 -38.45 40.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -112.72 21.96 15.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.14 170.88 8.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.4 t -107.44 167.89 9.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.619 ' CE1' HG13 ' A' ' 25' ' ' ILE . 83.4 t60 -51.0 -41.51 59.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.605 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -52.26 66.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -49.47 73.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.578 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.53 -52.36 30.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.443 ' CG2' HD11 ' A' ' 25' ' ' ILE . 26.0 t -54.61 -55.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 88' ' ' THR . 8.3 tt0 -50.58 -47.27 58.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -54.11 -56.83 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CE1' HG21 ' A' ' 69' ' ' VAL . 20.5 m-85 -60.65 -25.62 66.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -51.49 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.819 HG23 ' O ' ' A' ' 84' ' ' GLU . 14.8 p -79.26 -4.99 53.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -70.97 149.84 46.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -119.76 151.67 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 3.5 mp0 -88.68 144.0 32.73 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.98 138.5 56.44 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.043 -0.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.457 HG22 HG22 ' A' ' 95' ' ' VAL . 23.4 mt -91.04 111.88 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.5 t -84.19 110.98 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.972 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -114.97 151.05 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -133.08 139.05 46.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.937 HG13 HD11 ' A' ' 12' ' ' LEU . 11.4 m -128.6 165.23 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.7 ' HB2' HD11 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -112.78 109.48 18.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.919 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -102.15 124.95 48.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.35 134.6 38.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.96 119.66 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.377 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.9 t -171.51 121.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.93 126.32 2.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -175.33 2.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.476 1.777 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.7 p -122.66 140.12 53.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.8 m -118.09 143.12 46.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.14 117.15 24.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.52 99.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.75 57.88 0.71 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 p -46.43 154.99 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 0.796 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -53.28 102.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.959 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.39 -169.18 20.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 3.2 tptt -130.79 152.53 50.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.645 ' C ' HD12 ' A' ' 10' ' ' LEU . 32.9 p -109.76 117.83 34.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.645 HD12 ' C ' ' A' ' 9' ' ' SER . 1.4 mp -106.17 147.97 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -99.98 140.83 33.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.078 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -144.68 139.6 28.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG12 ' CE1' ' A' ' 15' ' ' HIS . 24.8 t -99.39 116.33 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 95' ' ' VAL . 74.9 mt -107.07 155.54 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.466 ' CE1' HG12 ' A' ' 13' ' ' VAL . 1.7 m-70 -135.75 167.21 21.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.589 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.804 ' HB3' HD22 ' A' ' 21' ' ' LEU . 16.0 ptt85 -133.35 110.82 10.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' SER . 22.3 t0 -88.7 80.54 7.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER 84.98 61.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.985 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.64 33.26 54.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -132.96 91.33 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.063 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 16' ' ' ARG . 4.4 mm? -58.88 -37.68 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 103.2 29.65 5.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CE1' ' HB3' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -171.11 -178.62 2.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 111.016 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.56 -174.2 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.53 ' CD1' ' CB ' ' A' ' 82' ' ' ALA . 3.1 pt -149.84 160.63 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.9 pt -129.34 166.18 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.96 -157.59 14.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.96 65.55 3.5 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.31 136.79 64.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' SER . 18.2 Cg_endo -75.03 56.56 4.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PRO . 3.3 m 39.04 76.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.7 p -44.82 -41.75 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER 171.53 100.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 1.6 m-20 162.51 127.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -85.25 -64.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.615 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 56.54 172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.17 -56.07 27.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 90.3 p -158.39 88.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 110.042 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.2 m -39.79 154.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.961 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.22 147.24 17.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -133.75 -173.99 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.75 160.79 22.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.515 HD11 ' O ' ' A' ' 77' ' ' ALA . 26.2 mm -111.82 128.18 68.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.523 ' CE2' ' HG3' ' A' ' 65' ' ' ARG . 79.1 m-85 -138.31 158.42 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.458 HG21 ' OD2' ' A' ' 64' ' ' ASP . 33.5 t -96.24 124.87 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB2' HG21 ' A' ' 26' ' ' ILE . 38.7 t -122.72 6.29 9.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.066 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.83 149.59 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 11.6 mt -153.54 118.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.634 HG12 ' H ' ' A' ' 52' ' ' GLY . 68.0 t -69.32 131.23 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.83 -75.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.36 -21.4 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.634 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -51.4 151.13 6.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -2.25 12.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -89.88 -33.4 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.58 -19.74 22.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -74.72 -82.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' GLY . 11.7 mm-40 -101.97 -19.26 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.507 ' CA ' HD23 ' A' ' 14' ' ' LEU . . . -35.7 -65.53 0.45 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.94 3.55 48.78 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.972 HD11 ' OD2' ' A' ' 64' ' ' ASP . 9.8 tp -71.35 171.42 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.463 ' CB ' ' NH2' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -158.42 123.01 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.575 HG22 ' CD2' ' A' ' 63' ' ' HIS . 2.7 mt -38.37 152.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.575 ' CD2' HG22 ' A' ' 62' ' ' ILE . 25.4 m-70 65.06 44.73 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.972 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -115.2 143.01 45.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.523 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 9.3 ttt180 -105.51 91.5 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mt -50.44 140.58 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.822 HG13 HD13 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -114.1 -44.06 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.97 152.6 37.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.996 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.93 117.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' VAL . 0.2 OUTLIER 55.35 19.79 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.16 -3.35 56.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.84 126.91 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.46 ' O ' HD23 ' A' ' 74' ' ' LEU . 25.6 t70 -80.72 129.47 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.462 HD11 HG11 ' A' ' 69' ' ' VAL . 16.0 mt -125.07 2.7 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 t -54.55 -36.82 64.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -112.75 20.8 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -99.9 171.29 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.402 ' CA ' HD11 ' A' ' 43' ' ' ILE . 1.7 p -107.21 -177.25 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.443 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -62.6 -42.79 99.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -52.08 66.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -61.35 -48.38 81.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -52.09 -57.3 9.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.6 t -51.84 -54.4 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.786 ' O ' HG23 ' A' ' 88' ' ' THR . 4.9 tt0 -50.44 -46.34 56.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -55.06 -57.24 12.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.745 ' CE1' HG21 ' A' ' 69' ' ' VAL . 47.6 m-85 -64.27 -25.53 68.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 83' ' ' VAL . 29.5 ttpt -74.14 -49.14 25.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 84' ' ' GLU . 18.5 p -84.04 -7.48 59.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -65.98 150.23 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -117.59 152.29 35.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -91.0 143.39 28.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 141.61 72.29 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.998 -0.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 22.5 mt -93.18 111.86 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' ASN . 61.4 t -82.99 110.41 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.996 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -115.71 150.48 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -128.7 136.14 50.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 1.078 HG13 HD11 ' A' ' 12' ' ' LEU . 5.0 m -124.65 165.16 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.822 HD13 HG13 ' A' ' 67' ' ' ILE . 0.6 OUTLIER -109.36 108.34 18.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.463 ' NH2' ' CB ' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -117.9 136.58 53.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -40.69 -28.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 99' ' ' ARG . 3.1 t -174.66 -48.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.1 p -171.51 -174.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.72 99.2 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.04 37.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.0 t -120.82 -59.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.5 p -43.23 153.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.045 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.94 97.95 6.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -129.67 155.92 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.77 -66.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 m 51.54 85.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.04 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -163.34 -179.86 6.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 100' ' ' ARG . . . -67.31 -104.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -169.02 156.32 7.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.891 ' C ' HD13 ' A' ' 10' ' ' LEU . 13.4 p -103.73 125.65 50.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.891 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -120.35 145.69 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -102.91 140.52 37.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -141.32 137.23 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.87 116.56 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 32.8 mt -107.83 154.06 22.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' O ' HD13 ' A' ' 21' ' ' LEU . 81.4 m-70 -121.33 163.4 18.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.598 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.509 ' HG2' HD22 ' A' ' 21' ' ' LEU . 2.7 mtp180 -113.26 112.81 24.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 18' ' ' SER . 11.1 t0 -101.79 57.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 1.4 t 85.03 64.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.18 60.65 3.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -138.03 -46.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.994 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.509 HD22 ' HG2' ' A' ' 16' ' ' ARG . 3.8 mm? 70.41 -51.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' SER . . . 105.88 43.23 1.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -179.19 177.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.08 161.71 36.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.456 HD12 ' CB ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -124.77 157.58 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.97 166.76 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 -171.44 20.65 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 65.72 1.58 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.12 145.13 31.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -62.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER 49.25 81.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t 68.64 -67.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -56.73 114.22 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -76.55 170.96 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.364 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -72.82 104.45 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.614 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -149.11 -61.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.368 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.91 -130.12 1.1 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 p 59.47 165.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.7 m -131.36 144.05 50.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t 170.93 -33.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.2 150.14 14.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.66 134.14 7.64 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.8 mm -101.94 129.88 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 49.3 m-85 -143.81 154.45 43.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.568 HG21 HD21 ' A' ' 60' ' ' LEU . 95.0 t -96.01 116.21 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.9 t -114.02 -8.42 13.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -140.43 146.64 38.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.503 HD11 HG11 ' A' ' 45' ' ' VAL . 12.5 mt -153.63 116.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.578 HG12 ' H ' ' A' ' 52' ' ' GLY . 94.2 t -72.02 117.02 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -53.59 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -13.98 30.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.578 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -61.69 153.67 40.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -89.22 -31.84 17.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.439 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.0 -30.99 15.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -61.92 -83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' GLY . 67.3 mt-10 -101.77 -24.83 14.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.01 -63.64 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.977 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.87 2.31 52.28 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.568 HD21 HG21 ' A' ' 45' ' ' VAL . 6.3 tp -66.2 173.32 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -159.98 123.68 3.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.522 HG22 ' CG ' ' A' ' 63' ' ' HIS . 2.4 mt -40.97 155.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 62' ' ' ILE . 11.8 m-70 57.2 49.62 13.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 29.6 m-20 -128.39 122.78 32.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 25.3 ttt180 -85.72 106.78 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.436 HG23 HG12 ' A' ' 95' ' ' VAL . 1.5 mt -62.01 143.86 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.809 HG13 HD13 ' A' ' 98' ' ' LEU . 1.1 mm -110.66 -49.17 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -142.94 152.68 42.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.014 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -141.18 115.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.32 15.62 5.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.65 -2.98 53.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.49 124.76 38.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 0.736 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.555 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -77.59 128.1 33.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.576 HD11 ' CG1' ' A' ' 69' ' ' VAL . 8.1 mt -124.32 2.29 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 t -54.69 -39.33 68.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -111.92 21.45 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.62 179.78 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 p -116.1 176.83 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.685 ' O ' HG23 ' A' ' 83' ' ' VAL . 43.8 t60 -60.22 -33.6 72.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.7 -52.07 54.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -66.45 -50.47 63.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.463 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -51.41 -50.08 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 79' ' ' HIS . 37.8 t -57.06 -55.85 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 88' ' ' THR . 10.8 tt0 -53.11 -39.09 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.622 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -59.04 -55.98 28.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.594 ' CE1' HG21 ' A' ' 69' ' ' VAL . 26.5 m-85 -65.34 -25.69 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -77.31 -47.07 20.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 84' ' ' GLU . 69.1 p -85.81 -3.0 58.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.33 148.15 52.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -116.14 152.75 33.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.529 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 12.2 mt-10 -91.15 141.47 26.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.05 145.02 82.72 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.976 0.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.422 HG22 HG22 ' A' ' 95' ' ' VAL . 19.2 mt -96.68 111.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -83.61 111.13 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.014 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.74 150.72 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 7.2 tt0 -135.82 147.26 48.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.586 HG23 HD23 ' A' ' 10' ' ' LEU . 15.5 m -135.84 164.73 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.809 HD13 HG13 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -110.11 105.73 14.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.369 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.742 ' HB2' HD21 ' A' ' 10' ' ' LEU . 16.4 mtt180 -100.18 140.71 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.48 ' HB2' ' CA ' ' A' ' 7' ' ' GLY . 4.5 mmt180 76.3 174.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.423 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.6 t -165.47 70.07 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER 80.01 110.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.035 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.25 155.95 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -178.16 3.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.72 96.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 m -101.12 157.01 17.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.29 107.14 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.65 131.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.03 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.6 135.47 5.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -171.67 -60.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.746 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.11 165.67 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.38 -152.71 13.12 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.16 149.58 40.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.449 ' HA ' HD12 ' A' ' 98' ' ' LEU . 94.3 p -107.93 128.92 55.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD11 ' CG ' ' A' ' 99' ' ' ARG . 0.4 OUTLIER -126.53 157.37 38.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.75 140.93 43.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.493 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -138.84 136.69 35.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -98.71 116.99 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD12 ' HE1' ' A' ' 86' ' ' PHE . 58.9 mt -103.88 154.51 19.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.403 ' O ' HD13 ' A' ' 21' ' ' LEU . 84.3 m-70 -133.87 166.78 21.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -113.62 93.3 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 18' ' ' SER . 2.5 t0 -85.91 78.35 9.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER 79.76 53.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.035 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.38 54.39 20.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -162.46 89.96 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 0.806 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 21' ' ' LEU . 3.4 mm? -47.67 -40.37 19.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.567 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 101.32 44.57 1.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.7 p90 -178.84 177.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -141.6 165.28 27.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' A' ' 82' ' ' ALA . 1.5 pt -126.39 162.64 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.607 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.4 pt -133.16 161.48 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.1 84.78 1.36 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.14 121.62 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 148.67 69.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.21 8.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 m -70.56 167.63 18.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -104.89 -26.33 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 179.44 -78.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -167.3 -45.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.17 116.65 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.75 148.54 24.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.33 95.31 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 m 62.45 127.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.754 . . . . 0.0 109.998 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.1 p -170.65 130.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.5 m -145.66 112.21 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -110.51 157.71 19.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.82 136.26 6.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.441 HD11 ' O ' ' A' ' 77' ' ' ALA . 19.5 mm -101.83 118.82 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 56.1 m-85 -133.84 153.24 51.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.478 ' CG1' HG13 ' A' ' 48' ' ' ILE . 77.5 t -90.07 124.31 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.607 ' HB2' HG21 ' A' ' 26' ' ' ILE . 36.0 t -113.38 -20.74 11.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -134.49 152.88 52.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.478 HG13 ' CG1' ' A' ' 45' ' ' VAL . 3.5 mt -156.86 111.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 2.4 m -67.88 149.92 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -78.09 -79.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -34.15 -52.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.531 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -33.38 150.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.0 -11.75 21.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.448 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -73.15 -28.89 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -94.19 -38.06 11.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -56.58 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 58' ' ' GLY . 10.9 mt-10 -100.86 -24.43 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -29.79 -57.33 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.85 -12.53 67.18 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 60' ' ' LEU . 6.7 tp -53.74 168.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -165.69 126.71 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.73 HG22 ' CD2' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -41.09 148.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.73 ' CD2' HG22 ' A' ' 62' ' ' ILE . 2.0 m80 68.9 35.4 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' OD1' ' NH2' ' A' ' 99' ' ' ARG . 33.5 m-20 -117.73 119.46 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 42.3 ttt180 -85.66 107.76 17.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.479 HG23 HG12 ' A' ' 95' ' ' VAL . 1.1 mt -63.42 139.27 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.782 HG13 HD13 ' A' ' 98' ' ' LEU . 1.1 mm -106.29 -46.04 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -147.78 151.64 36.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.981 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.6 118.04 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' VAL . 0.5 OUTLIER 57.64 17.36 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.21 -4.28 55.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.46 127.59 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.972 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -78.99 137.82 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.972 HD23 ' O ' ' A' ' 73' ' ' ASP . 6.5 mt -143.89 24.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 p -68.36 -44.98 74.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -112.42 9.42 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -75.47 173.34 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 p -101.34 156.66 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.645 ' O ' HG23 ' A' ' 83' ' ' VAL . 45.2 t60 -49.29 -26.07 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -46.32 50.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -65.3 -54.89 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.715 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.81 -51.95 35.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 79' ' ' HIS . 25.5 t -53.42 -55.7 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -53.27 -44.53 68.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -54.09 -54.2 42.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.856 ' CE1' HG21 ' A' ' 69' ' ' VAL . 31.7 m-85 -64.58 -26.97 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -45.58 39.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 74.7 p -87.71 0.61 55.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.7 150.43 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -121.16 153.67 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 14.3 mt-10 -89.52 142.66 29.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.1 Cg_endo -75.01 140.93 70.07 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.997 0.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.52 HG22 HG22 ' A' ' 95' ' ' VAL . 28.3 mt -93.21 111.05 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 70' ' ' ASN . 44.4 t -83.62 109.97 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.981 HG13 HG23 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -115.97 150.82 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.8 tt0 -134.56 141.02 46.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.493 ' CG2' HD21 ' A' ' 12' ' ' LEU . 12.5 m -131.12 165.15 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.782 HD13 HG13 ' A' ' 67' ' ' ILE . 1.7 mp -117.86 105.58 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.592 ' CG ' HD11 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -137.62 140.68 41.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 163.16 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.0 t -73.75 -42.25 61.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -71.45 139.03 49.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -159.46 118.28 0.82 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 175.6 11.03 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.6 p -138.97 169.87 17.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.08 97.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -116.56 -50.09 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.96 122.09 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.73 157.7 23.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -81.78 121.72 26.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -143.14 144.47 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.78 107.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.27 153.41 33.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.515 ' C ' HD12 ' A' ' 10' ' ' LEU . 2.7 p -113.68 115.05 27.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -102.79 146.27 28.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.04 141.06 32.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -141.54 136.59 31.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 41.3 t -99.34 116.98 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' A' ' 54' ' ' ALA . 29.4 mt -107.81 154.6 21.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -121.83 -175.58 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.547 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -130.11 88.95 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.73 73.6 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.05 78.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 38.78 60.18 1.54 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.26 105.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.74 -31.81 73.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.85 33.74 5.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -176.29 -179.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 111.02 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.405 ' N ' ' HE2' ' A' ' 47' ' ' LYS . 1.2 t-20 -135.76 162.86 31.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.522 HG13 ' CE1' ' A' ' 79' ' ' HIS . 4.8 pt -129.68 163.06 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.465 HG21 ' HB2' ' A' ' 46' ' ' SER . 1.6 pt -132.51 166.05 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.7 -177.5 24.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.52 121.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.52 134.35 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 102.56 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -171.65 -60.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.9 t -64.3 78.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' SER . 28.1 t70 -178.57 145.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -174.42 85.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -172.89 -66.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.625 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 179.91 92.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.25 -159.43 49.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 61.0 m 57.8 -178.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 0.77 . . . . 0.0 110.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t 172.0 138.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.2 109.18 20.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -146.79 174.34 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.468 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -167.34 167.3 39.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 77' ' ' ALA . 17.1 mm -110.55 129.31 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 89.7 m-85 -143.59 151.71 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.652 HG21 HD21 ' A' ' 60' ' ' LEU . 89.2 t -95.67 124.73 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.465 ' HB2' HG21 ' A' ' 26' ' ' ILE . 11.2 t -117.52 -7.17 11.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 109.941 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 23' ' ' PHE . 7.1 ttpt -148.92 145.33 27.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.693 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 36.2 mt -147.94 121.38 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 52' ' ' GLY . 40.5 t -69.55 119.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.18 -72.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -18.61 11.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -55.97 153.97 15.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.3 Cg_endo -74.98 -2.46 12.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.631 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -82.92 -41.37 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.693 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -90.75 -37.07 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -55.13 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' GLY . 46.6 mt-10 -101.26 -29.64 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.616 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -35.67 -60.11 0.82 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.59 -9.52 58.85 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 45' ' ' VAL . 10.0 tp -55.36 166.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -156.31 129.89 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.431 HG22 ' ND1' ' A' ' 63' ' ' HIS . 1.6 mt -43.35 156.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.431 ' ND1' HG22 ' A' ' 62' ' ' ILE . 12.7 m-70 60.42 45.56 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 17.6 m-20 -128.12 133.45 48.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 22.5 ttt180 -98.2 110.9 23.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.506 HG23 HG12 ' A' ' 95' ' ' VAL . 1.3 mt -63.55 140.88 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.757 ' CD1' HD13 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -107.42 -44.16 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -151.4 153.21 34.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.942 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.43 113.58 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.644 ' HA ' HG12 ' A' ' 94' ' ' VAL . 0.5 OUTLIER 72.69 -47.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 69' ' ' VAL . . . 160.09 23.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.601 ' HB3' HD21 ' A' ' 74' ' ' LEU . 1.1 mtt180 -115.86 134.41 55.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.975 ' O ' HD23 ' A' ' 74' ' ' LEU . 16.3 t0 -71.17 121.17 17.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.975 HD23 ' O ' ' A' ' 73' ' ' ASP . 6.4 mt -133.25 15.53 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.431 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 3.0 t -65.76 -46.93 76.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -113.26 21.36 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.615 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -84.89 169.47 14.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -100.23 170.45 8.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.547 ' O ' HG23 ' A' ' 83' ' ' VAL . 58.5 t60 -55.1 -36.46 65.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -49.5 72.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.24 -50.69 67.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -53.2 -56.19 18.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 79' ' ' HIS . 50.2 t -52.89 -54.66 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 88' ' ' THR . 1.3 tp10 -50.27 -48.78 54.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.23 -54.15 40.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.635 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.2 m-85 -64.96 -25.62 67.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -76.84 -38.99 52.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 84' ' ' GLU . 19.0 p -99.25 7.58 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.368 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.61 140.07 47.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' CG1' ' A' ' 93' ' ' ILE . 30.3 mmtt -104.09 152.83 21.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 14.7 mt-10 -95.56 140.81 22.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.99 146.27 86.2 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.03 -2.487 . . . . 0.0 111.021 -0.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 9.4 mt -95.99 111.94 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 70' ' ' ASN . 3.8 p -83.54 108.47 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.942 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -112.8 149.16 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -134.91 145.09 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 60' ' ' LEU . 26.9 m -135.01 162.87 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.7 OUTLIER -107.18 100.93 10.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -103.41 118.35 36.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.48 169.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -100.76 151.23 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.46 143.5 18.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.04 152.9 17.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 117.85 5.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 90.6 p -79.66 155.81 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.7 p -143.53 -61.73 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.036 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -130.91 150.4 52.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.755 . . . . 0.0 109.988 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -52.96 125.82 18.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.92 -94.87 2.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 6' ' ' SER . 14.5 m -149.09 141.62 24.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 165.37 144.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.926 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.47 155.94 9.91 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.487 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.2 mptt -136.12 152.1 50.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.9 p -106.28 132.08 52.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.047 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.524 HD12 ' CG ' ' A' ' 99' ' ' ARG . 5.4 mt -124.82 157.44 35.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -108.82 140.7 41.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.8 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.8 138.64 39.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 92' ' ' PRO . 0.3 OUTLIER -99.75 117.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD12 HG21 ' A' ' 95' ' ' VAL . 73.9 mt -105.61 154.65 20.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.708 ' O ' HD13 ' A' ' 21' ' ' LEU . 48.1 m-70 -129.34 177.62 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 2.2 mtm105 -123.91 79.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 18' ' ' SER . 6.3 t70 -72.63 67.83 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER 84.62 63.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 40.67 57.34 2.82 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.02 86.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 15' ' ' HIS . 3.1 mm? -47.79 -41.24 23.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.596 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 102.44 43.68 1.96 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.8 p90 -176.35 173.2 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -130.01 167.37 18.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 83' ' ' VAL . 1.3 pt -128.8 158.79 41.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.505 HG21 ' HB2' ' A' ' 46' ' ' SER . 1.3 pt -139.66 158.38 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 29' ' ' ARG . . . 121.47 -131.66 8.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.94 -90.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER 70.08 153.25 0.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.33 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.03 22.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.06 80.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.7 m -118.45 72.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -122.91 122.03 37.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -122.66 94.65 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.84 -62.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -151.33 115.71 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.77 -166.78 30.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.91 113.22 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.4 p -89.51 156.52 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.18 123.5 4.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 pm0 -142.08 157.16 45.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.42 151.17 23.41 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.0 mm -100.52 126.96 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.537 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 72.4 m-85 -138.95 166.82 23.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' HIS . 90.0 t -107.09 130.86 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.505 ' HB2' HG21 ' A' ' 26' ' ' ILE . 12.6 t -120.47 -38.37 2.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.03 147.35 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.46 HD11 ' HG ' ' A' ' 60' ' ' LEU . 3.0 mt -154.2 102.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.596 HG22 ' CA ' ' A' ' 22' ' ' GLY . 2.3 m -66.81 149.15 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.548 ' O ' ' C ' ' A' ' 51' ' ' SER . 31.1 m-20 -76.08 -88.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 50' ' ' ASP . 2.2 m -26.51 -48.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.494 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -36.76 150.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.5 Cg_endo -74.96 -8.24 19.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -77.17 -33.13 56.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -93.41 -36.74 12.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -57.31 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 58' ' ' GLY . 40.0 mt-10 -100.97 -25.22 14.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -30.96 -57.39 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.22 -10.72 67.55 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.491 ' CD1' HG11 ' A' ' 97' ' ' VAL . 6.2 tp -52.57 165.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.34 126.9 8.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.583 HG22 ' CD2' ' A' ' 63' ' ' HIS . 2.0 mt -42.84 147.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.583 ' CD2' HG22 ' A' ' 62' ' ' ILE . 27.8 m-70 61.61 50.7 4.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 44' ' ' PHE . 13.8 m-20 -123.5 134.59 53.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.537 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 17.0 ttt180 -92.99 108.37 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.91 136.49 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.551 ' CD1' HD12 ' A' ' 98' ' ' LEU . 3.5 mm -103.2 -52.1 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -143.65 155.15 44.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.082 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.4 116.44 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 55.6 19.83 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.65 -0.67 58.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 124.63 35.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.427 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -75.8 120.71 21.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.552 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 16.8 mt -116.2 -7.02 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.3 t -53.8 -36.55 62.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -112.8 21.56 15.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -104.56 174.4 5.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 p -111.51 173.21 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.431 ' CE1' HG13 ' A' ' 25' ' ' ILE . 41.1 t60 -55.5 -39.75 70.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.623 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -52.09 66.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.62 -49.02 74.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 1.065 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.432 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -50.15 -51.73 41.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 25' ' ' ILE . 12.7 t -55.21 -56.23 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -51.34 -42.86 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.51 -56.41 21.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 69' ' ' VAL . 40.3 m-85 -64.62 -25.45 67.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -42.7 38.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.5 p -90.11 -2.65 58.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -70.33 148.12 48.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -115.32 151.9 33.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.3 mp0 -90.64 141.99 27.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.92 143.66 78.52 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.006 -0.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.466 HG22 HG22 ' A' ' 95' ' ' VAL . 18.9 mt -95.15 111.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.69 110.06 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.082 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.27 151.5 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.05 132.04 46.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.8 ' CG2' HD21 ' A' ' 12' ' ' LEU . 15.6 m -124.39 165.38 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.551 HD12 ' CD1' ' A' ' 67' ' ' ILE . 18.9 mt -112.99 117.42 31.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.524 ' CG ' HD12 ' A' ' 10' ' ' LEU . 1.7 mmt-85 -98.41 105.39 17.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.27 147.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.3 t -39.44 132.8 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.8 p -74.26 166.81 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.7 -171.56 42.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.096 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.14 136.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.028 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -119.73 160.43 22.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -170.56 113.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -64.33 152.73 40.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.56 146.01 17.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 45.71 79.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.28 86.68 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.7 -148.17 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -137.56 150.18 47.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -120.96 118.9 31.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mt -110.46 151.16 27.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -101.55 141.11 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.019 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.45 137.81 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.04 117.03 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.698 HD23 ' HA2' ' A' ' 58' ' ' GLY . 46.8 mt -109.04 155.68 20.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -130.43 139.98 50.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.496 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 4.1 ppt_? -98.04 98.62 9.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -81.48 106.96 13.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.7 t 52.12 47.63 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.77 43.58 74.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.9 t -149.88 106.88 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 16' ' ' ARG . 1.4 mm? -70.37 -30.61 67.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 102.68 29.22 5.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.4 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -170.1 -169.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.16 163.17 37.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.494 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.3 pt -130.09 162.8 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.519 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.8 pt -126.8 166.38 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.57 -165.31 13.34 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' CA ' ' OG1' ' A' ' 78' ' ' THR . . . 84.01 -47.72 3.9 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -94.46 160.85 30.82 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 110.233 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 98.13 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.787 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.4 t -141.22 -63.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.956 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 32' ' ' VAL . 35.2 m -134.1 63.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.78 -62.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 63.36 161.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -82.19 103.98 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -148.65 136.06 20.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 44.73 -154.75 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.43 71.21 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 t -130.13 -47.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.7 -78.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -118.69 148.15 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.511 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -125.22 149.83 17.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.527 HD11 ' O ' ' A' ' 77' ' ' ALA . 16.4 mm -111.88 128.54 68.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 82.2 m-85 -141.74 154.92 45.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.404 HG21 ' OD2' ' A' ' 64' ' ' ASP . 45.8 t -90.54 127.5 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB2' HG21 ' A' ' 26' ' ' ILE . 47.2 t -123.11 3.78 9.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.952 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.41 148.82 18.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.476 HD12 ' N ' ' A' ' 62' ' ' ILE . 12.9 mt -152.51 117.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' GLY . 22.5 t -71.13 119.54 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -48.17 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -21.83 12.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.1 147.02 1.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.615 ' HA ' ' CG ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -75.05 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.604 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -91.83 -19.61 22.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . -94.72 -60.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.615 ' CG ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -40.28 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.7 mt-10 -90.98 -43.93 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.698 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -20.75 -55.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . 89.06 4.15 75.19 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.004 HD11 ' OD2' ' A' ' 64' ' ' ASP . 10.2 tp -69.55 170.53 10.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -162.37 126.37 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.476 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.1 mt -38.91 150.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.472 ' ND1' HG22 ' A' ' 62' ' ' ILE . 12.4 m-70 68.73 45.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.619 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 1.004 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -117.34 142.17 47.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 7.0 ttt180 -107.46 89.4 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.447 HG23 HG12 ' A' ' 95' ' ' VAL . 1.6 mt -50.17 135.91 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.679 ' CD1' HD13 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -108.07 -42.49 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.87 152.71 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.015 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.91 116.02 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.15 17.7 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.97 -1.61 55.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.22 129.65 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.671 ' O ' HD23 ' A' ' 74' ' ' LEU . 8.6 t0 -81.26 129.29 34.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 73' ' ' ASP . 14.0 mt -131.68 11.9 4.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.5 p -58.44 -42.73 88.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -112.32 21.48 15.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.527 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -93.27 171.68 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.404 ' OG1' ' CA ' ' A' ' 28' ' ' GLY . 10.1 t -107.19 166.54 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.42 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.537 ' O ' HG23 ' A' ' 83' ' ' VAL . 21.7 t-80 -51.25 -38.65 53.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -51.63 67.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -65.32 -47.64 75.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.499 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -55.41 -56.84 15.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 79' ' ' HIS . 45.3 t -51.84 -51.45 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.8 -45.51 74.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.26 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.548 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.58 -53.64 48.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.505 ' CE1' HG21 ' A' ' 69' ' ' VAL . 35.1 m-85 -64.73 -25.59 68.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -77.91 -43.94 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.0 p -87.02 -5.42 59.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -71.67 147.77 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 152.67 31.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.1 mt-10 -89.81 142.9 29.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.97 145.1 83.0 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -0.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.414 HG22 HG22 ' A' ' 95' ' ' VAL . 21.5 mt -97.85 111.9 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.4 t -83.56 110.33 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.015 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -115.49 151.01 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 3.0 tt0 -129.87 141.9 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 1.019 HG13 HD11 ' A' ' 12' ' ' LEU . 5.3 m -130.03 164.84 31.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.679 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -109.28 108.5 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.531 ' CZ ' HG21 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -106.18 132.49 52.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.35 -46.52 13.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 102' ' ' SER . 2.1 t -175.19 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.424 ' N ' HG23 ' A' ' 101' ' ' THR . 9.1 m -146.49 175.34 10.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.83 123.22 0.88 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 171.54 18.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.1 t -146.19 146.4 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.3 -75.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.01 -59.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 110.047 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -83.43 130.08 35.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.15 153.29 24.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 m -155.81 162.8 40.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.91 -67.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.89 -154.09 6.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.38 156.92 36.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.675 ' C ' HD13 ' A' ' 10' ' ' LEU . 28.6 p -115.64 124.71 51.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.675 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -112.82 157.01 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -108.61 140.31 42.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.566 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.54 134.6 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 56.9 t -98.69 116.4 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 ' HA ' ' A' ' 54' ' ' ALA . 39.2 mt -108.78 154.76 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.589 ' O ' HD13 ' A' ' 21' ' ' LEU . 66.6 m-70 -129.35 166.44 19.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HG2' ' CD2' ' A' ' 21' ' ' LEU . 5.7 mtm105 -111.24 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.8 t70 -65.67 -11.65 46.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER 157.3 68.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.4 61.61 2.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.449 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -146.38 -44.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.737 . . . . 0.0 110.056 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.74 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 4.3 mm? 69.19 1.19 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.41 40.23 85.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.123 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -177.49 -175.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 111.042 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.79 -172.96 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.489 HG13 ' CE1' ' A' ' 79' ' ' HIS . 2.1 pt -150.93 157.74 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.419 ' CG2' ' HB3' ' A' ' 46' ' ' SER . 3.9 pt -127.17 166.25 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.66 145.1 14.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.39 160.15 8.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -123.53 131.2 24.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.455 ' O ' HG13 ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.01 62.65 5.91 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.1 m -57.08 140.87 47.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.941 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 32' ' ' VAL . 26.0 m -135.04 76.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.87 116.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 176.09 119.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -125.78 73.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.557 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 176.67 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.59 142.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.4 p -172.65 150.45 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -69.01 168.75 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 m -130.47 113.36 14.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -92.6 176.17 6.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -122.7 163.67 16.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 42' ' ' GLY . 16.5 mm -111.44 128.27 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 68.5 m-85 -145.21 149.73 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.941 HG21 HD21 ' A' ' 60' ' ' LEU . 99.5 t -89.92 122.88 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.419 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 43.9 t -118.17 3.83 12.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -154.66 148.05 25.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.538 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 26.2 mt -154.07 125.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.466 HG12 ' H ' ' A' ' 52' ' ' GLY . 58.8 t -80.05 120.49 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.083 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -45.64 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -22.28 4.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.466 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -45.14 151.68 0.82 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -2.25 12.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -89.76 -33.89 16.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.87 -38.1 12.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 58' ' ' GLY . 42.3 mm-40 -101.78 -27.59 12.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.59 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -33.13 -60.89 0.43 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.117 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.37 4.98 59.38 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.941 HD21 HG21 ' A' ' 45' ' ' VAL . 9.7 tp -69.65 168.62 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' ILE . 1.1 mt-30 -157.1 123.44 4.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.481 HG22 ' CD2' ' A' ' 63' ' ' HIS . 2.2 mt -37.97 151.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.481 ' CD2' HG22 ' A' ' 62' ' ' ILE . 30.9 m-70 66.12 49.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.927 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -114.0 171.51 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.597 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 13.7 ttt180 -134.96 85.27 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.615 HG23 HG12 ' A' ' 95' ' ' VAL . 1.5 mt -50.52 135.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.524 ' CD1' ' O ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -108.37 -42.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -148.19 150.88 34.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 110.258 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.954 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.94 117.04 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.693 ' HA ' HG12 ' A' ' 94' ' ' VAL . 0.4 OUTLIER 58.66 16.48 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.29 -1.17 54.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.71 127.35 39.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -82.58 126.29 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 11.3 mt -124.08 1.59 8.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 t -50.32 -38.33 41.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -112.64 21.84 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.7 178.03 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 p -116.25 -177.49 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.695 ' O ' HG23 ' A' ' 83' ' ' VAL . 31.4 t60 -64.66 -33.84 76.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.36 -50.79 62.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.91 -46.1 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 85' ' ' ALA . . . -54.69 -52.5 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 79' ' ' HIS . 48.5 t -55.86 -55.13 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -52.02 -40.04 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.62 -54.47 45.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.445 ' HE1' HD12 ' A' ' 14' ' ' LEU . 25.8 m-85 -65.64 -26.43 67.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -75.88 -48.34 21.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.1 p -83.39 -5.88 59.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -71.09 143.81 50.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -109.26 154.51 22.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.528 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.2 mt-10 -91.44 142.93 27.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.98 146.13 85.82 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.025 -0.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 19.7 mt -97.89 112.35 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 70' ' ' ASN . 7.2 p -84.07 112.17 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.954 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.84 147.42 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 2.7 tt0 -131.04 141.04 50.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.605 HG11 ' OD2' ' A' ' 64' ' ' ASP . 30.8 m -129.62 165.07 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.507 HD12 HD12 ' A' ' 67' ' ' ILE . 13.0 mt -112.27 116.38 30.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.583 ' HB2' HD21 ' A' ' 10' ' ' LEU . 3.3 mtt180 -117.12 140.15 49.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -42.85 165.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.43 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 64.7 p -56.91 135.27 55.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.5 t -116.81 -58.19 2.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.8 -159.93 33.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.59 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.7 158.32 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 m 50.15 96.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p 179.13 170.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -82.54 99.04 9.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.99 -96.21 0.86 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.565 1.165 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -172.97 110.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.969 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 56.96 93.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.55 -118.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.105 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.67 156.19 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.451 ' HA ' HD12 ' A' ' 98' ' ' LEU . 41.2 p -114.02 125.24 53.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 99' ' ' ARG . 3.3 mt -117.49 156.44 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -108.77 140.88 41.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.541 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.98 133.97 34.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 66.4 t -98.46 116.9 42.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.558 HD12 HG21 ' A' ' 95' ' ' VAL . 66.7 mt -103.95 154.27 19.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -132.52 171.96 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.625 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.454 HH21 ' N ' ' A' ' 20' ' ' SER . 7.0 mtp180 -121.49 103.04 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.45 -60.09 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -154.66 70.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.67 51.6 58.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.454 ' N ' HH21 ' A' ' 16' ' ' ARG . 7.3 t -169.42 102.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -51.95 -33.17 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.02 34.21 4.37 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -178.22 -179.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.967 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.33 -176.52 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.443 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.0 pt -150.63 162.64 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.494 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.7 pt -129.44 166.41 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.41 -153.9 16.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.45 133.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -91.93 127.31 50.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 62.54 5.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -179.44 149.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 53.6 t -132.93 -49.77 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 60.22 -84.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' VAL . 56.8 t-20 -157.21 115.0 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 42.05 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.12 157.53 46.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.4 54.55 0.1 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.44 79.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.052 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -159.09 -59.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.2 p -172.16 78.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -131.59 156.8 45.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.444 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -169.96 161.91 35.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.444 HD13 ' O ' ' A' ' 42' ' ' GLY . 23.9 mm -111.68 120.62 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.598 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 48.5 m-85 -134.59 165.42 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.788 HG23 ' OD1' ' A' ' 64' ' ' ASP . 74.7 t -105.56 120.64 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.494 ' HB2' HG21 ' A' ' 26' ' ' ILE . 40.9 t -114.28 6.85 16.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.89 146.83 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.657 HG22 ' HB2' ' A' ' 55' ' ' ALA . 53.0 mt -150.31 131.36 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.612 HG12 ' H ' ' A' ' 52' ' ' GLY . 96.8 t -79.18 118.05 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -69.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -15.88 14.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.95 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.612 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -57.31 154.36 20.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -2.11 12.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -90.57 -33.19 15.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.657 ' HB2' HG22 ' A' ' 48' ' ' ILE . . . -91.58 -32.15 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -60.48 -83.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLY . 7.4 mm-40 -101.93 -24.21 14.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -34.36 -56.87 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.1 -0.05 62.01 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.872 HD11 ' OD2' ' A' ' 64' ' ' ASP . 7.1 tp -65.91 167.82 9.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 62' ' ' ILE . 2.0 tt0 -159.7 126.82 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.453 HG22 ' ND1' ' A' ' 63' ' ' HIS . 1.3 mt -37.71 153.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.453 ' ND1' HG22 ' A' ' 62' ' ' ILE . 11.3 m-70 62.72 51.45 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.585 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.872 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -113.85 168.56 9.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.598 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 7.6 ttt180 -132.24 83.74 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.529 HG23 HG12 ' A' ' 95' ' ' VAL . 1.6 mt -50.48 125.45 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.798 HG13 HD13 ' A' ' 98' ' ' LEU . 1.4 mm -98.55 -45.33 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -149.91 154.32 38.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.109 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -138.62 113.1 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.77 -50.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 69' ' ' VAL . . . 163.81 24.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -116.05 123.89 49.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.641 ' C ' HD23 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -61.84 113.24 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.641 HD23 ' C ' ' A' ' 73' ' ' ASP . 9.7 mt -115.81 0.6 13.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -63.1 -41.04 99.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -112.68 22.34 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -96.05 177.28 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -115.9 166.25 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 83' ' ' VAL . 56.5 t-80 -49.79 -38.62 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -52.79 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -67.05 -47.56 70.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.51 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -50.43 -48.18 56.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 79' ' ' HIS . 33.7 t -60.26 -55.49 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -50.23 -40.57 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -57.56 -56.4 22.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.909 ' CE1' HG21 ' A' ' 69' ' ' VAL . 33.7 m-85 -65.75 -26.04 67.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -38.57 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.1 p -100.68 6.8 44.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.372 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.56 145.57 47.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -115.54 150.79 36.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.5 mp0 -91.13 144.23 29.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.04 134.11 34.45 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.013 0.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.457 HG22 HG22 ' A' ' 95' ' ' VAL . 16.0 mt -85.4 110.01 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -86.2 110.66 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.109 HG13 HG23 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -115.63 151.02 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -131.73 136.68 47.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.691 HG11 ' OD2' ' A' ' 64' ' ' ASP . 17.1 m -130.65 162.0 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.798 HD13 HG13 ' A' ' 67' ' ' ILE . 4.5 mp -113.93 105.0 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.504 ' HG2' ' CD1' ' A' ' 10' ' ' LEU . 6.7 ptp180 -130.56 140.15 50.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 171.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -94.68 139.7 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.458 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.0 t -167.69 154.62 8.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.78 103.03 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.96 -65.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.2 m -56.94 124.7 19.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 p -89.24 133.29 34.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.94 80.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.26 61.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -106.77 93.6 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.65 84.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.39 -140.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.29 155.15 46.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 p -115.28 116.39 28.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.913 HD12 ' HG3' ' A' ' 99' ' ' ARG . 15.7 mt -105.79 153.61 21.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.31 140.45 38.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.49 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.49 133.02 28.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -98.69 116.67 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD23 ' HA2' ' A' ' 58' ' ' GLY . 39.1 mt -105.66 154.62 20.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -121.39 175.75 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.568 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.555 ' HG3' HD11 ' A' ' 93' ' ' ILE . 5.6 mtm-85 -127.34 87.97 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -67.43 -8.95 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 3.0 t 159.31 61.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.05 48.21 14.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.463 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 4.1 m -126.76 -37.85 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 2.8 mm? 70.9 -51.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 23' ' ' PHE . . . 102.22 50.95 1.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.455 ' HB3' ' O ' ' A' ' 22' ' ' GLY . 1.4 p90 178.51 172.9 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 0.721 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -132.7 159.58 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 pt -125.94 159.88 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.596 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.0 pt -134.92 159.34 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.96 109.61 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.46 120.55 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -124.59 154.64 69.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 78.75 2.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.34 174.48 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.8 -59.66 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.33 151.77 3.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -135.23 168.24 19.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 56.27 77.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -163.74 127.97 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.58 -66.31 2.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 m -47.53 133.93 12.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.34 100.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -149.0 114.95 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -40.73 158.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.92 137.52 9.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.2 mm -100.63 119.54 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -138.02 150.15 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.47 HG21 HD21 ' A' ' 60' ' ' LEU . 85.2 t -92.21 125.2 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.596 ' HB2' HG21 ' A' ' 26' ' ' ILE . 20.9 t -113.13 -25.9 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 48' ' ' ILE . 1.1 tmtp? -127.56 152.55 47.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.57 HD11 ' HG ' ' A' ' 60' ' ' LEU . 3.3 mt -156.13 102.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.553 ' CG1' ' HA3' ' A' ' 52' ' ' GLY . 4.1 p -63.59 149.01 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.28 -66.9 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.2 t -44.14 -47.58 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.553 ' HA3' ' CG1' ' A' ' 49' ' ' VAL . . . -35.73 147.89 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.431 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -74.97 -7.0 18.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.568 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -80.12 -32.1 39.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -92.13 -27.52 17.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 1.8 mmmt -66.44 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.1 pt-20 -100.71 -26.49 13.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.634 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -34.07 -55.22 0.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.57 4.39 73.33 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.57 ' HG ' HD11 ' A' ' 48' ' ' ILE . 11.0 tp -65.91 158.97 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 62' ' ' ILE . 2.3 tt0 -147.18 123.49 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.701 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.1 mt -40.16 154.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.701 ' CD2' HG22 ' A' ' 62' ' ' ILE . 0.8 OUTLIER 62.67 38.55 11.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 13.0 m-20 -117.38 125.78 51.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -89.5 103.83 16.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.236 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.428 HG23 HG12 ' A' ' 95' ' ' VAL . 1.4 mt -57.48 142.49 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.655 ' CD1' HD13 ' A' ' 98' ' ' LEU . 1.6 mm -110.24 -48.8 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -145.84 152.63 39.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.979 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.55 117.73 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 56.84 18.04 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.8 -3.11 55.85 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.15 126.82 39.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.666 ' O ' HD23 ' A' ' 74' ' ' LEU . 7.4 t70 -80.03 135.31 36.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 73' ' ' ASP . 12.8 mt -132.93 9.24 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.7 p -60.47 -40.36 90.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 20.58 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -95.91 177.55 5.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.4 t -114.99 164.31 14.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.489 ' O ' HG23 ' A' ' 83' ' ' VAL . 33.8 t60 -49.41 -35.44 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -52.13 62.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -66.39 -47.79 72.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.01 -55.11 19.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' HIS . 33.7 t -52.84 -55.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -51.14 -46.55 62.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.76 -52.84 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.55 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.3 m-85 -67.09 -26.08 66.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -75.93 -42.15 49.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -88.14 -12.05 45.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -58.09 150.71 20.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' O ' ' CG1' ' A' ' 93' ' ' ILE . 0.3 OUTLIER -118.75 152.83 35.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -91.99 139.88 24.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -75.01 143.43 77.77 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.001 0.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.555 HD11 ' HG3' ' A' ' 16' ' ' ARG . 15.0 mt -95.62 111.51 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.7 OUTLIER -83.61 112.9 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.979 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -118.47 150.15 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -133.66 136.77 44.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.49 HG13 HD11 ' A' ' 12' ' ' LEU . 22.0 m -127.7 165.76 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.655 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -105.07 101.12 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.913 ' HG3' HD12 ' A' ' 10' ' ' LEU . 1.9 mmm-85 -99.44 137.89 37.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -69.59 -56.47 7.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.0 t -166.13 160.79 16.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 m 63.42 159.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 158.39 73.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -57.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.5 m 68.01 93.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.8 m -102.91 163.2 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -92.48 82.13 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.742 . . . . 0.0 109.962 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -161.32 166.78 26.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.84 -178.13 33.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -65.57 102.21 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.04 156.57 29.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.016 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.24 -156.42 13.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.36 155.75 46.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.593 ' C ' HD13 ' A' ' 10' ' ' LEU . 4.2 p -114.03 120.29 40.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.053 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.708 HD23 ' HG3' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -106.2 158.11 17.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -106.75 140.61 39.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.67 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -139.71 134.5 32.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -100.05 117.03 44.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.716 HD23 ' HA2' ' A' ' 58' ' ' GLY . 27.5 mt -108.98 154.91 21.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -125.98 166.33 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.629 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.477 ' HG2' HD13 ' A' ' 21' ' ' LEU . 7.3 mtm105 -116.13 90.6 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.38 -17.68 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.55 55.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 53.81 40.98 65.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 25.7 m -122.11 -37.49 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.792 . . . . 0.0 109.96 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 21' ' ' LEU . 2.1 mm? 71.83 -46.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 20' ' ' SER . . . 102.98 44.32 1.78 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 111.047 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -177.44 177.52 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 0.776 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -134.73 154.86 51.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 2.6 pt -123.97 154.04 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.492 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.8 pt -132.75 165.09 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.2 100.32 1.03 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.93 132.04 1.75 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.24 155.99 77.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.784 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 122.57 7.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.2 p -115.9 164.55 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.0 t -145.2 -58.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -58.03 127.83 34.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -77.82 96.32 4.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -174.09 119.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.635 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.06 -56.03 4.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.36 -123.71 16.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.5 p -76.6 149.89 36.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -61.15 123.14 16.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -121.25 133.16 55.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 60.55 163.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.622 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -144.72 176.22 23.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.622 HD13 ' O ' ' A' ' 42' ' ' GLY . 33.4 mm -121.08 121.98 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 0.778 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CE2' ' HG3' ' A' ' 65' ' ' ARG . 78.7 m-85 -137.75 153.39 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.635 HG11 HD11 ' A' ' 48' ' ' ILE . 93.8 t -93.31 113.5 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.492 ' HB2' HG21 ' A' ' 26' ' ' ILE . 9.6 t -98.84 -40.85 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 155.32 32.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.635 HD11 HG11 ' A' ' 45' ' ' VAL . 4.3 mt -151.92 108.74 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.547 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 43.1 t -64.18 128.03 25.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.66 -70.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.49 -19.03 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.458 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -55.85 152.95 16.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.0 13.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -90.28 -34.88 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.95 -27.2 18.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -66.2 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' GLY . 6.3 mm-40 -101.19 -25.07 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.716 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -34.92 -55.39 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.59 6.0 66.32 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 97' ' ' VAL . 7.3 tp -67.15 172.77 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -158.1 130.98 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.425 HG22 ' ND1' ' A' ' 63' ' ' HIS . 1.8 mt -47.55 156.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.425 ' ND1' HG22 ' A' ' 62' ' ' ILE . 11.5 m-70 58.01 47.69 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 40.8 m-20 -125.82 139.47 53.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.511 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 17.8 ttt180 -101.01 107.49 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.1 132.45 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.795 HD11 ' HB2' ' A' ' 98' ' ' LEU . 2.8 mm -96.13 -47.07 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -155.11 154.85 33.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.982 HG23 HG13 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -139.93 113.59 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 t30 74.13 -50.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 162.94 23.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.663 ' HB3' HD21 ' A' ' 74' ' ' LEU . 5.4 mtt180 -116.2 124.78 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.692 ' C ' HD23 ' A' ' 74' ' ' LEU . 2.4 t0 -62.86 110.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.692 HD23 ' C ' ' A' ' 73' ' ' ASP . 7.6 mt -114.05 8.42 17.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.7 p -66.73 -47.67 71.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -113.25 21.69 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -87.19 179.05 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 p -113.26 163.19 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.696 ' O ' HG23 ' A' ' 83' ' ' VAL . 51.2 t-80 -50.5 -30.63 13.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.56 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -52.08 42.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.76 -49.53 70.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.603 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -53.8 -56.26 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 79' ' ' HIS . 52.4 t -52.13 -54.11 15.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 88' ' ' THR . 24.0 tt0 -55.6 -41.33 73.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.709 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -58.51 -52.61 64.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 69' ' ' VAL . 21.2 m-85 -66.36 -24.97 66.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -50.63 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 84' ' ' GLU . 22.0 p -80.77 -12.75 59.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -56.95 140.16 49.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -107.05 153.09 23.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.529 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 13.2 mt-10 -92.83 141.07 23.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.98 145.26 83.46 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.049 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 11.7 mt -96.27 111.67 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.2 t -83.85 110.65 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.982 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -115.67 150.44 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.8 OUTLIER -131.76 139.87 49.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.67 ' CG2' HD21 ' A' ' 12' ' ' LEU . 4.6 m -130.48 163.82 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 67' ' ' ILE . 0.6 OUTLIER -111.91 110.19 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.708 ' HG3' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -109.03 131.94 54.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -178.31 5.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 t -102.17 57.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.447 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.42 159.74 42.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 126.92 173.94 13.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 t -48.8 150.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.94 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.83 103.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.572 1.17 . . . . 0.0 111.035 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -132.27 156.81 45.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.737 . . . . 0.0 110.009 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t 57.9 168.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.27 158.57 24.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.567 1.167 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m 60.54 115.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.757 . . . . 0.0 109.973 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -152.8 160.89 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.016 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.7 -150.29 5.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.67 156.19 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.627 ' C ' HD12 ' A' ' 10' ' ' LEU . 25.2 p -114.63 116.42 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.4 mp -105.35 150.16 25.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -101.65 140.81 35.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.75 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -136.34 135.53 38.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 52.8 t -99.42 116.41 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.692 HD12 ' HE1' ' A' ' 86' ' ' PHE . 33.5 mt -99.59 154.27 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.426 ' O ' HD13 ' A' ' 21' ' ' LEU . 25.8 m-70 -137.74 -178.66 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.601 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -133.73 104.35 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -33.95 62.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -167.23 68.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 49.57 35.0 21.5 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -146.57 89.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.61 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 3.8 mm? -43.15 -38.73 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.567 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 96.29 46.49 2.57 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.6 174.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -133.3 171.31 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.618 HD11 HG23 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -134.22 155.45 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.3 pt -129.93 163.29 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.5 143.07 11.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.51 -172.21 21.3 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.33 144.82 0.23 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 135.97 19.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.78 -73.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.2 t 46.49 55.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -40.96 -67.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -167.11 97.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.72 178.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 59.41 158.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.99 108.07 1.98 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 p -59.68 170.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.767 . . . . 0.0 109.967 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 40' ' ' SER . 12.4 m -114.61 128.9 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.6 OUTLIER 160.29 -179.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 64.67 163.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.494 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -128.87 154.35 20.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.137 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 42' ' ' GLY . 23.8 mm -113.95 120.41 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 25.7 m-85 -135.72 168.88 18.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.878 HG21 HD21 ' A' ' 60' ' ' LEU . 56.4 t -107.0 126.81 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.525 ' HB2' HG21 ' A' ' 26' ' ' ILE . 48.2 t -121.68 -6.56 9.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HA ' HD11 ' A' ' 62' ' ' ILE . 4.9 tttp -144.97 137.47 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.492 HG13 ' CG1' ' A' ' 45' ' ' VAL . 3.4 mt -146.47 112.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.766 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.8 m -71.96 149.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.562 ' O ' ' C ' ' A' ' 51' ' ' SER . 41.3 m-20 -73.62 -92.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.562 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -25.5 -50.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.539 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -33.09 144.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.517 ' HA ' ' CG ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -75.0 -3.53 14.06 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -84.34 -21.38 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -92.67 -60.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.517 ' CG ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -52.21 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.626 ' O ' ' C ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -74.62 -58.03 3.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.626 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -12.59 -65.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . 97.06 -1.43 60.93 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.922 HD11 ' OD2' ' A' ' 64' ' ' ASP . 7.6 tp -64.33 168.54 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.63 133.01 14.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.735 HG22 ' ND1' ' A' ' 63' ' ' HIS . 4.9 mm -47.36 135.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.735 ' ND1' HG22 ' A' ' 62' ' ' ILE . 25.2 m80 73.95 59.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.922 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -117.8 173.9 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 9.7 ttt180 -133.8 82.75 2.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.587 HG23 HG12 ' A' ' 95' ' ' VAL . 2.1 mt -52.37 130.36 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.715 ' CD1' HD13 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -104.29 -41.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -147.47 150.48 34.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.065 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.05 115.97 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.37 13.98 6.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.07 1.47 55.98 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.08 124.36 37.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.654 ' O ' HD23 ' A' ' 74' ' ' LEU . 1.2 m-20 -73.11 122.62 22.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 73' ' ' ASP . 20.5 mt -127.05 5.39 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 p -55.36 -39.35 69.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -112.7 20.83 16.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -95.0 177.73 5.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -117.7 170.45 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.54 ' CE1' HG13 ' A' ' 25' ' ' ILE . 57.9 t60 -51.57 -42.9 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.591 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -52.12 65.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.95 -50.65 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.55 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.41 -53.69 21.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.618 HG23 HD11 ' A' ' 25' ' ' ILE . 17.2 t -52.57 -56.47 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -51.06 -42.0 60.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.35 -54.39 46.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' A' ' 69' ' ' VAL . 45.5 m-85 -68.83 -25.74 64.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -37.25 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 p -100.48 0.11 39.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.26 145.04 55.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.74 151.15 30.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.3 mp0 -92.01 141.44 25.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.97 142.75 75.7 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.023 -0.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 12.2 mt -93.93 111.39 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.5 t -83.58 111.17 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.065 HG13 HG23 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -115.84 151.44 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.3 OUTLIER -134.28 137.77 44.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.75 HG13 HD11 ' A' ' 12' ' ' LEU . 35.8 m -130.61 164.2 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.715 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.7 OUTLIER -106.65 104.75 14.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -103.19 139.56 38.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 167.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 78.6 p -56.43 176.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -87.23 135.72 33.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -136.25 167.61 24.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 90.43 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.8 p 178.19 153.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.0 p -78.61 129.5 34.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -114.64 109.12 17.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.36 156.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.31 120.65 5.38 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -121.5 124.67 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -101.5 97.94 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.99 -158.32 21.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.518 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.0 mptm? -126.11 153.11 45.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.938 ' C ' HD13 ' A' ' 10' ' ' LEU . 14.7 p -126.51 129.96 49.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.948 HD21 ' HB2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -121.99 154.43 37.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -107.1 140.89 39.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.676 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.51 148.63 39.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -102.27 116.79 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD11 HD22 ' A' ' 60' ' ' LEU . 36.0 mt -103.34 154.87 18.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -141.85 164.5 30.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.603 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.753 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -130.06 105.56 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.86 -57.12 12.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 m -138.21 86.96 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 40.46 38.11 1.36 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 m -151.68 118.46 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.995 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -69.67 -7.95 43.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.25 -55.28 5.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.732 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -75.31 -179.02 4.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.771 . . . . 0.0 110.995 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -136.18 161.57 35.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.531 HG13 ' CD2' ' A' ' 79' ' ' HIS . 3.9 pt -128.32 159.85 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 pt -125.88 165.96 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.27 -161.29 14.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.68 164.52 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.16 128.62 20.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 63.59 6.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -140.35 143.81 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.96 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 32' ' ' VAL . 3.0 p -128.77 58.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.2 -63.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -172.29 -58.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 167.96 1.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 67.59 154.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.03 -119.16 0.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.15 -66.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.7 81.15 2.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 p 178.36 102.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ALA . 3.8 tt0 174.74 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.37 124.64 6.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 77' ' ' ALA . 12.9 mm -92.87 129.14 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 27.9 m-85 -142.62 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.639 HG21 HD21 ' A' ' 60' ' ' LEU . 94.3 t -100.15 119.2 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -114.37 -5.08 12.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.94 146.61 35.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.665 HD12 ' N ' ' A' ' 62' ' ' ILE . 6.5 mt -154.15 113.65 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.86 HG22 ' H ' ' A' ' 52' ' ' GLY . 2.1 p -71.54 138.17 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 52' ' ' GLY . 0.6 OUTLIER -68.27 -84.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -24.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.86 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -51.55 157.56 2.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -74.97 -12.24 21.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -73.49 -38.22 65.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -94.16 -42.56 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -45.65 -83.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.9 mm-40 -101.16 -32.17 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.586 ' CA ' HD23 ' A' ' 14' ' ' LEU . . . -26.45 -66.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.01 1.03 54.92 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.732 HD23 ' CD2' ' A' ' 23' ' ' PHE . 6.0 tp -70.06 168.66 15.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -153.29 128.09 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 48' ' ' ILE . 3.0 mt -43.2 150.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.573 ' CD2' HG22 ' A' ' 62' ' ' ILE . 36.0 m-70 61.8 49.74 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.571 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -134.28 125.61 28.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.226 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.574 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 41.8 ttt180 -85.96 126.0 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.432 ' C ' HD13 ' A' ' 67' ' ' ILE . 1.2 mt -77.03 132.72 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 67' ' ' ILE . 1.6 mm -99.26 -55.74 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -137.6 154.94 49.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.021 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -141.0 115.56 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' VAL . 0.7 OUTLIER 55.35 19.19 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.16 -4.42 52.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -92.52 131.89 37.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.635 ' O ' HD23 ' A' ' 74' ' ' LEU . 1.5 m-20 -81.87 129.75 34.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 73' ' ' ASP . 8.5 mt -124.51 2.92 8.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.0 t -60.21 -39.45 86.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.27 21.01 15.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -99.99 167.92 10.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 81' ' ' GLN . 9.2 t -102.83 166.58 10.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.531 ' CD2' HG13 ' A' ' 25' ' ' ILE . 50.9 t-80 -50.65 -41.38 55.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -52.2 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.422 ' H ' HG23 ' A' ' 78' ' ' THR . 8.9 mt-30 -62.48 -49.09 76.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -51.58 -50.67 59.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 79' ' ' HIS . 40.4 t -57.6 -55.7 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.787 ' O ' HG23 ' A' ' 88' ' ' THR . 6.9 tt0 -52.86 -46.6 67.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.18 -50.41 61.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.921 ' CE1' HG21 ' A' ' 69' ' ' VAL . 29.5 m-85 -68.45 -25.68 65.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -43.84 56.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 84' ' ' GLU . 10.3 p -87.32 0.21 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.72 154.38 40.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 92' ' ' PRO . 0.1 OUTLIER -128.73 145.62 51.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.6 mp0 -83.64 142.82 43.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.99 134.96 38.29 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.013 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.478 HG22 HG22 ' A' ' 95' ' ' VAL . 26.5 mt -88.46 113.08 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' ASN . 43.0 t -82.6 110.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.021 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -120.28 151.03 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 7.0 tt0 -134.71 147.92 50.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.676 HG13 HD11 ' A' ' 12' ' ' LEU . 23.1 m -131.9 161.13 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 8' ' ' LYS . 11.6 mt -106.52 112.26 25.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.948 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -107.35 137.67 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.21 171.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -55.09 134.82 49.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.8 p -95.75 164.82 12.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.92 -145.57 4.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.085 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.05 14.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.1 t -112.89 166.17 11.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 m -170.28 118.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.05 146.55 49.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 62.38 147.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.25 118.78 2.97 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t -41.15 151.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.06 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 p -106.35 151.68 24.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.38 -156.72 28.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.653 ' O ' HD23 ' A' ' 98' ' ' LEU . 4.3 mptt -141.79 153.18 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.857 ' C ' HD13 ' A' ' 10' ' ' LEU . 54.4 p -127.13 122.25 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.857 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -114.28 154.77 27.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.1 140.8 38.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.659 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.56 141.04 35.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -99.46 116.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.706 HD11 HD22 ' A' ' 60' ' ' LEU . 25.1 mt -101.3 155.1 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.424 ' C ' HD13 ' A' ' 21' ' ' LEU . 62.8 m-70 -138.3 134.06 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 1.2 ptt180 -98.22 83.42 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.22 88.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.91 69.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 44.0 55.83 5.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.76 87.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.51 ' CD2' ' HB3' ' A' ' 16' ' ' ARG . 1.9 mm? -61.78 -39.53 92.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.581 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 101.79 43.27 2.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.9 p90 -174.58 174.08 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.67 170.46 15.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -132.61 161.39 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' A' ' 46' ' ' SER . 6.3 pt -126.69 162.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.58 -151.5 17.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.76 149.62 0.81 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -138.3 159.38 68.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.44 14.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.512 1.796 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.1 p -116.67 118.52 32.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.1 m -124.45 62.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.12 155.71 49.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -76.8 163.14 27.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.9 m80 68.85 -78.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -162.38 131.02 4.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.42 101.66 0.79 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.15 118.9 2.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -93.41 -61.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.81 118.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -125.76 162.86 24.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.99 133.07 8.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.1 mm -101.86 120.95 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 24.1 m-85 -137.85 148.64 45.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.442 HG21 HD21 ' A' ' 60' ' ' LEU . 99.8 t -90.0 126.94 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.457 ' HB2' HG21 ' A' ' 26' ' ' ILE . 20.6 t -119.08 -5.93 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.58 149.25 32.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.488 HD11 ' HG ' ' A' ' 60' ' ' LEU . 8.7 mt -154.34 116.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.581 HG22 ' CA ' ' A' ' 22' ' ' GLY . 2.0 m -70.78 149.66 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.5 OUTLIER -76.06 -90.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.551 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -25.76 -49.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.495 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -32.22 147.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.01 -8.17 19.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -79.26 -30.54 43.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -94.48 -33.65 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 22.9 mmtt -61.01 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 58' ' ' GLY . 42.4 mt-10 -102.09 -18.24 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 54' ' ' ALA . . . -33.61 -65.88 0.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.09 -10.87 34.1 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.706 HD22 HD11 ' A' ' 14' ' ' LEU . 6.2 tp -62.26 169.19 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -163.96 128.65 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.432 HG22 ' ND1' ' A' ' 63' ' ' HIS . 1.6 mt -39.55 156.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.432 ' ND1' HG22 ' A' ' 62' ' ' ILE . 11.5 m-70 57.63 51.06 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.06 118.97 18.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.579 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 57.9 ttt180 -83.49 116.64 22.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -70.01 136.21 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.466 HD12 HD12 ' A' ' 98' ' ' LEU . 1.1 mm -104.61 -48.54 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -144.29 151.86 39.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.027 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.65 117.04 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 94' ' ' VAL . 1.2 t30 57.08 19.96 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.3 -0.56 58.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.572 1.17 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.615 ' HG2' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -97.17 125.89 41.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.605 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -74.59 131.69 41.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.615 HD21 ' HG2' ' A' ' 72' ' ' ARG . 31.6 mt -123.9 0.63 8.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -60.08 -38.75 83.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.83 21.77 15.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -102.36 168.14 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 81' ' ' GLN . 8.5 t -102.98 176.35 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.426 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.542 ' O ' HG23 ' A' ' 83' ' ' VAL . 60.1 t60 -59.89 -38.4 82.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.557 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -52.16 63.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.449 ' H ' HG23 ' A' ' 78' ' ' THR . 15.8 mt-30 -61.78 -51.4 68.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -50.47 -54.79 19.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 79' ' ' HIS . 40.9 t -53.32 -54.96 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.73 -43.04 62.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.661 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.11 -53.6 55.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.663 ' CE1' HG21 ' A' ' 69' ' ' VAL . 39.4 m-85 -65.82 -25.06 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -76.73 -49.72 15.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 50.5 p -82.01 -10.52 59.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -62.73 153.32 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 150.07 46.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.4 mp0 -87.83 143.99 34.29 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.06 132.72 28.51 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.976 -2.51 . . . . 0.0 110.973 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.481 HG22 HG22 ' A' ' 95' ' ' VAL . 25.5 mt -85.65 111.83 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 70' ' ' ASN . 40.4 t -82.08 110.13 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.027 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.95 151.11 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.6 tt0 -135.14 141.78 46.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.659 HG13 HD11 ' A' ' 12' ' ' LEU . 30.7 m -126.46 165.47 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 8' ' ' LYS . 10.5 mt -113.82 118.47 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.659 ' HB2' HD21 ' A' ' 10' ' ' LEU . 11.3 mtt180 -127.54 138.57 52.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -44.48 168.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.2 p -63.98 152.77 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.72 157.74 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 166.28 179.23 39.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 143.23 29.02 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.3 t -156.8 124.51 5.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.73 158.64 0.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.977 ' C ' HD13 ' A' ' 10' ' ' LEU . 84.1 p -117.85 125.98 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.977 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -119.4 156.94 29.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -108.82 141.2 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.431 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.509 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.7 135.73 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.1 117.12 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.615 HD23 ' HA2' ' A' ' 58' ' ' GLY . 33.5 mt -107.99 154.68 21.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.585 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.95 31.4 4.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -172.71 179.32 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -133.8 157.99 44.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' A' ' 82' ' ' ALA . 1.4 pt -124.69 160.17 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.679 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.6 pt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.427 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.501 HD11 ' O ' ' A' ' 77' ' ' ALA . 24.6 mm -113.29 119.78 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 42.8 m-85 -131.73 162.97 29.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.656 HG21 HD21 ' A' ' 60' ' ' LEU . 88.9 t -100.06 120.64 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.679 ' HB2' HG21 ' A' ' 26' ' ' ILE . 17.6 t -107.97 -18.77 13.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -142.76 157.56 44.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 55' ' ' ALA . 14.2 mt -153.21 121.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -76.27 118.3 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.6 -62.23 2.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -17.43 8.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.031 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.04 156.18 52.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.38 12.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.415 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -85.26 -34.63 21.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 48' ' ' ILE . . . -92.12 -28.79 16.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -64.78 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 58' ' ' GLY . 8.3 pt-20 -102.41 -20.56 14.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.615 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -33.53 -59.12 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.15 -12.75 63.67 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD21 HG21 ' A' ' 45' ' ' VAL . 4.4 tp -49.78 174.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -152.64 118.76 5.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.596 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.7 mm -40.1 137.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.596 ' CD2' HG22 ' A' ' 62' ' ' ILE . 53.7 m-70 67.15 53.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.66 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -128.46 133.56 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.558 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.5 ttt180 -86.88 116.95 25.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.49 132.86 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.792 HG13 HD13 ' A' ' 98' ' ' LEU . 2.0 mm -99.88 -50.75 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -144.88 154.43 42.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.049 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.48 116.33 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 2.2 t-20 59.32 16.38 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.99 -1.24 56.41 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.91 126.1 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.601 ' O ' HD23 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -78.34 128.93 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 73' ' ' ASP . 6.4 mt -133.07 10.43 4.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.442 ' OG ' ' NH2' ' A' ' 65' ' ' ARG . 11.8 t -55.92 -40.57 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.048 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -112.89 21.47 15.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.501 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -93.62 175.47 6.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.3 t -113.1 168.13 9.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.541 ' O ' HG23 ' A' ' 83' ' ' VAL . 54.2 t-80 -49.66 -41.41 42.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -52.46 64.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.8 -51.74 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' A' ' 25' ' ' ILE . . . -50.63 -51.37 49.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 79' ' ' HIS . 40.2 t -56.39 -55.66 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.37 -44.36 72.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -55.28 -55.6 29.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.836 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.2 m-85 -64.46 -25.71 68.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -76.13 -50.38 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.6 p -79.54 -5.21 54.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.27 150.89 48.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.446 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 30.2 mmtt -119.9 151.06 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -89.55 141.61 28.82 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.03 144.67 81.66 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.004 0.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.503 HG22 HG22 ' A' ' 95' ' ' VAL . 23.6 mt -96.34 111.29 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -83.81 110.32 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.049 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.95 151.28 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -132.39 139.15 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.509 HG13 HD11 ' A' ' 12' ' ' LEU . 13.9 m -125.71 164.52 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.792 HD13 HG13 ' A' ' 67' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.62 ' O ' HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 p -127.02 115.99 20.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 mt -106.74 155.69 19.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -107.82 140.75 40.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -139.47 137.15 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 11.9 t -100.67 117.15 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.791 HD22 ' HA ' ' A' ' 54' ' ' ALA . 48.6 mt -110.13 154.53 23.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.59 28.69 5.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CE2' HG23 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -170.48 -178.53 2.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 0.757 . . . . 0.0 110.962 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -125.01 166.88 15.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.541 HG23 ' CE2' ' A' ' 23' ' ' PHE . 1.1 pt -135.3 150.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 46' ' ' SER . 1.1 pt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.702 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.702 HD13 ' O ' ' A' ' 42' ' ' GLY . 26.4 mm -124.57 127.33 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 0.776 . . . . 0.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE1' ' HG3' ' A' ' 65' ' ' ARG . 28.7 m-85 -137.14 160.7 38.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.555 HG11 HD11 ' A' ' 48' ' ' ILE . 94.0 t -100.29 129.26 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.543 ' HB2' HG21 ' A' ' 26' ' ' ILE . 8.8 t -117.38 -38.46 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.52 135.56 55.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.555 HD11 HG11 ' A' ' 45' ' ' VAL . 14.4 mt -133.88 123.68 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.739 HG12 ' H ' ' A' ' 52' ' ' GLY . 86.7 t -78.15 124.84 37.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -60.05 -76.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -27.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.739 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -53.2 155.16 6.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.3 Cg_endo -75.02 -2.52 12.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.791 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -83.53 -39.57 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.531 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.14 -41.47 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -51.15 -83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 58' ' ' GLY . 43.1 mt-10 -101.73 -28.07 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.735 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -33.53 -55.51 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' LEU . . . 95.37 -12.16 68.18 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 45' ' ' VAL . 6.2 tp -47.16 172.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -155.18 122.98 5.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.668 ' CG2' ' CD2' ' A' ' 63' ' ' HIS . 1.8 mt -41.64 144.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.668 ' CD2' ' CG2' ' A' ' 62' ' ' ILE . 9.1 m170 63.16 53.3 2.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -128.52 130.19 47.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.551 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 48.3 ttt180 -88.48 113.43 24.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 mt -65.74 141.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.571 HD12 HD12 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -109.75 -47.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -145.4 152.3 39.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.001 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.26 116.73 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 4.6 t-20 57.7 18.07 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.65 -2.78 55.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.03 124.73 40.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.491 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -78.19 131.08 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.542 HD11 HG11 ' A' ' 69' ' ' VAL . 14.7 mt -128.54 5.49 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.365 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 t -51.59 -40.56 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.958 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.77 21.71 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.511 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -96.28 168.31 10.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -105.07 172.12 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.442 ' O ' HG23 ' A' ' 83' ' ' VAL . 58.4 t-80 -53.08 -44.13 67.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.94 -49.62 73.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -61.29 -56.59 18.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.19 -52.43 26.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 79' ' ' HIS . 26.0 t -52.22 -55.69 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.93 -46.93 84.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.548 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -54.65 -53.55 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 69' ' ' VAL . 21.2 m-85 -66.57 -25.6 66.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -76.35 -49.23 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.6 p -80.06 -9.62 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -61.85 147.55 46.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.3 mmmt -114.59 151.51 33.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -90.85 141.04 26.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.0 146.18 85.95 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.996 -0.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 18.4 mt -97.75 112.73 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' ASN . 45.5 t -83.55 110.54 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.001 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.07 151.05 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 5.0 tt0 -133.85 145.05 49.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 15.6 m -130.64 165.05 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 8' ' ' LYS . 11.9 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.476 ' O ' HD23 ' A' ' 98' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.669 ' C ' HD13 ' A' ' 10' ' ' LEU . 88.7 p -126.23 122.02 34.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.747 HD22 ' H ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.06 148.3 39.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -102.18 140.8 35.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.582 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -138.65 135.28 34.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.66 117.64 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.732 HD22 ' HA ' ' A' ' 54' ' ' ALA . 31.5 mt -110.19 155.28 22.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.581 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.8 29.35 6.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.32 -174.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.76 162.47 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.418 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.5 pt -127.71 159.83 37.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.524 HG21 ' CB ' ' A' ' 46' ' ' SER . 3.4 pt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.6 mm -100.78 119.17 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 60.9 m-85 -137.59 158.06 45.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.652 HG21 HD21 ' A' ' 60' ' ' LEU . 93.7 t -99.35 121.89 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.524 ' CB ' HG21 ' A' ' 26' ' ' ILE . 46.6 t -116.2 -1.81 12.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' O ' ' CG1' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -151.38 155.07 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 8.0 mt -155.61 141.72 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 52' ' ' GLY . 99.0 t -93.52 127.26 45.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -68.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -14.91 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.647 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -63.82 156.41 43.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.4 Cg_endo -74.96 -2.02 11.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.732 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -83.55 -39.39 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.31 -51.33 5.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -41.54 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 58' ' ' GLY . 41.8 mt-10 -101.59 -30.72 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.341 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.732 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -32.29 -61.56 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.97 -12.43 60.7 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 45' ' ' VAL . 7.7 tp -50.26 172.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -163.24 125.75 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.652 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.6 mt -39.53 156.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.652 ' CD2' HG22 ' A' ' 62' ' ' ILE . 7.2 m170 57.82 49.19 12.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 7.0 m-20 -131.75 132.44 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 25.4 ttt180 -95.37 118.55 32.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.97 137.85 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.483 HD12 HD12 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -105.7 -48.03 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -145.53 152.18 39.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.006 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.36 115.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 3.3 t-20 58.64 16.88 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.8 5.84 54.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.04 128.22 48.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.833 ' O ' HD23 ' A' ' 74' ' ' LEU . 9.7 t70 -78.34 131.37 36.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.833 HD23 ' O ' ' A' ' 73' ' ' ASP . 9.4 mt -130.47 7.28 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.9 p -61.07 -38.83 87.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -112.43 18.94 18.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -96.66 174.63 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 t -111.03 174.74 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.581 ' O ' HG23 ' A' ' 83' ' ' VAL . 55.7 t-80 -57.07 -38.56 73.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -52.0 65.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.77 -47.91 73.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.68 -53.63 49.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 79' ' ' HIS . 45.2 t -54.97 -55.57 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 88' ' ' THR . 5.2 tt0 -50.91 -47.65 60.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -52.3 -53.01 49.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' A' ' 69' ' ' VAL . 23.2 m-85 -64.44 -25.84 68.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -76.73 -49.19 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.802 HG23 ' O ' ' A' ' 84' ' ' GLU . 14.1 p -79.81 -3.27 47.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.16 150.47 43.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.9 mmmt -120.99 150.63 40.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 3.6 mp0 -87.18 142.02 33.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.99 144.06 79.77 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -0.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.481 HG22 HG22 ' A' ' 95' ' ' VAL . 23.8 mt -97.22 112.32 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.1 t -83.5 110.62 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.006 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.82 150.86 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 9' ' ' SER . 2.3 tt0 -133.7 142.98 48.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.582 HG13 HD11 ' A' ' 12' ' ' LEU . 26.0 m -127.52 165.43 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.483 HD12 HD12 ' A' ' 67' ' ' ILE . 10.3 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' O ' HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.7 p -118.46 120.96 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.04 156.94 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.36 140.53 44.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.473 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.4 135.03 29.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.28 117.46 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.725 HD23 ' HA2' ' A' ' 58' ' ' GLY . 52.5 mt -108.29 153.98 22.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HG ' ' CD1' ' A' ' 86' ' ' PHE . 4.6 mm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.07 30.58 4.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -173.46 -178.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 111.031 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.36 163.52 30.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.548 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.9 pt -128.19 160.76 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.487 HG21 ' CB ' ' A' ' 46' ' ' SER . 3.6 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 77' ' ' ALA . 9.0 mm -92.64 130.58 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CE1' ' HG3' ' A' ' 65' ' ' ARG . 51.8 m-85 -145.57 154.67 42.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.673 HG21 HD21 ' A' ' 60' ' ' LEU . 95.7 t -95.31 115.98 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.487 ' CB ' HG21 ' A' ' 26' ' ' ILE . 38.6 t -112.51 -8.56 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -143.38 146.08 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.583 HD11 HG11 ' A' ' 45' ' ' VAL . 22.9 mt -151.3 126.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' H ' ' A' ' 52' ' ' GLY . 93.9 t -81.56 133.65 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.12 -80.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.87 -27.34 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.684 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -50.14 153.49 3.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.572 1.17 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -2.07 12.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -86.16 -40.97 15.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.582 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.25 -28.55 17.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -64.7 -82.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.4 mm-40 -101.45 -26.06 13.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.725 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -35.25 -59.67 0.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.92 4.47 60.2 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.673 HD21 HG21 ' A' ' 45' ' ' VAL . 8.2 tp -65.05 172.35 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -155.44 125.45 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.562 HG22 ' CD2' ' A' ' 63' ' ' HIS . 4.0 mt -45.38 152.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.562 ' CD2' HG22 ' A' ' 62' ' ' ILE . 39.8 m-70 62.36 45.89 6.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 30.5 m-20 -126.08 138.13 53.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.549 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 18.2 ttt180 -99.37 114.07 26.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.525 HD13 ' HZ ' ' A' ' 86' ' ' PHE . 4.7 mt -64.88 140.79 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.515 HD12 HD12 ' A' ' 98' ' ' LEU . 1.3 mm -108.31 -48.26 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -146.34 152.37 39.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.969 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.82 116.22 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 3.2 t-20 58.15 17.32 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.12 -0.85 56.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.04 126.55 38.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.15 124.23 29.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.5 HD11 ' CG1' ' A' ' 69' ' ' VAL . 10.9 mt -125.35 4.22 7.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 p -52.0 -39.28 59.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -112.5 21.6 15.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.486 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -96.94 166.79 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 79' ' ' HIS . 8.7 t -99.93 -174.37 2.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.548 ' CD2' HG13 ' A' ' 25' ' ' ILE . 39.2 t-80 -65.58 -43.24 90.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -48.98 79.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.402 ' H ' HG23 ' A' ' 78' ' ' THR . 37.7 mt-30 -62.76 -54.38 40.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.453 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -51.38 -54.57 25.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' HIS . 38.1 t -52.4 -55.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.518 ' O ' HG23 ' A' ' 88' ' ' THR . 3.7 tt0 -52.23 -46.02 65.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.45 -51.54 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.526 ' CE1' HG21 ' A' ' 69' ' ' VAL . 22.7 m-85 -67.62 -25.97 66.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -76.79 -38.85 53.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 84' ' ' GLU . 64.2 p -93.41 3.12 56.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -74.62 145.85 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.5 mmmt -110.8 152.92 26.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.2 OUTLIER -93.79 141.36 23.67 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -75.01 142.6 75.25 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.03 -2.487 . . . . 0.0 111.004 0.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 12.2 mt -93.79 113.35 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.0 t -84.94 111.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.969 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -116.2 151.14 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.5 tt0 -134.83 141.05 46.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.473 ' CG2' HD21 ' A' ' 12' ' ' LEU . 4.9 m -128.19 164.59 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 67' ' ' ILE . 11.1 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.742 ' O ' HD23 ' A' ' 98' ' ' LEU . 4.7 mptt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.422 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 64.2 p -131.37 117.58 19.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.429 ' N ' HE21 ' A' ' 96' ' ' GLN . 4.9 mt -111.3 153.61 25.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -106.27 141.17 38.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -138.74 133.93 32.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -101.22 116.41 44.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' A' ' 54' ' ' ALA . 12.6 mt -109.08 154.66 21.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.578 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.99 29.11 5.34 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.501 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -175.42 179.27 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.982 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -132.58 166.71 21.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 4.5 pt -133.14 162.82 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.536 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.1 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.449 HD11 ' O ' ' A' ' 77' ' ' ALA . 12.5 mm -99.64 124.62 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CZ ' ' HD2' ' A' ' 65' ' ' ARG . 47.1 m-85 -140.67 160.71 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.414 HG21 HD21 ' A' ' 60' ' ' LEU . 90.4 t -101.47 123.32 54.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.536 ' HB2' HG21 ' A' ' 26' ' ' ILE . 30.3 t -119.0 -5.03 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -148.17 144.03 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 62' ' ' ILE . 16.1 mt -145.1 124.73 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.489 HG12 ' H ' ' A' ' 52' ' ' GLY . 61.5 t -79.79 123.07 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -66.08 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.48 -18.8 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.489 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -56.77 151.45 25.17 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.437 1.086 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.63 12.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.708 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -90.54 -31.46 16.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.63 -38.98 12.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 58' ' ' GLY . 4.2 mm-40 -102.19 -27.48 12.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.38 -65.32 0.23 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.438 1.087 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.58 -14.37 35.46 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.501 ' CD2' ' CD2' ' A' ' 23' ' ' PHE . 8.8 tp -46.22 170.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -161.9 126.27 3.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.615 HG22 ' CD2' ' A' ' 63' ' ' HIS . 2.8 mt -42.2 146.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.615 ' CD2' HG22 ' A' ' 62' ' ' ILE . 41.0 m-70 68.15 41.19 2.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 109.596 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -123.32 125.53 45.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.476 ' HD2' ' CZ ' ' A' ' 44' ' ' PHE . 37.9 ttt180 -86.76 120.33 27.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.414 HG23 HG12 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -71.88 135.27 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.556 HD12 HD12 ' A' ' 98' ' ' LEU . 2.5 mm -102.28 -52.14 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -144.06 153.46 42.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.0 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.53 116.37 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.485 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 1.2 t-20 56.16 22.09 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.29 -0.84 62.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 125.06 40.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.356 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.908 ' O ' HD23 ' A' ' 74' ' ' LEU . 39.1 t0 -77.46 136.73 38.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.908 HD23 ' O ' ' A' ' 73' ' ' ASP . 11.3 mt -137.73 13.94 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -64.55 -42.42 95.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.89 21.48 15.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -95.05 167.24 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 81' ' ' GLN . 10.0 t -99.73 166.01 11.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.504 ' O ' HG23 ' A' ' 83' ' ' VAL . 55.6 t-80 -50.45 -39.81 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.578 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -52.12 66.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.412 ' H ' HG23 ' A' ' 78' ' ' THR . 7.4 mt-30 -61.38 -48.13 82.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.44 -56.44 18.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 79' ' ' HIS . 47.3 t -52.07 -53.31 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.59 -48.47 63.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.61 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.82 -52.07 61.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.544 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.6 m-85 -67.66 -25.81 65.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 83' ' ' VAL . 11.1 ttmm -76.22 -45.39 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.7 p -86.26 -9.35 56.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -60.69 142.91 55.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.485 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -109.53 152.99 24.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.5 mp0 -91.84 139.92 24.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.97 151.03 96.4 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.045 -0.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 14.5 mt -102.32 110.65 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -83.78 111.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.0 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.04 151.81 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.118 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.429 HE21 ' N ' ' A' ' 10' ' ' LEU . 1.4 tt0 -133.36 138.44 46.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 11.3 m -126.24 165.36 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 8' ' ' LYS . 14.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.808 ' C ' HD13 ' A' ' 10' ' ' LEU . 1.3 p -139.23 122.62 17.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.808 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -111.94 157.06 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -106.33 140.24 39.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.835 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -139.99 135.07 32.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 35.4 t -99.08 116.87 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD12 HG21 ' A' ' 95' ' ' VAL . 31.9 mt -108.28 154.26 22.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.562 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 108.86 21.65 7.36 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.72 -168.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -140.22 172.37 12.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.561 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.8 pt -135.89 165.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.61 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.0 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.42 HD11 ' O ' ' A' ' 77' ' ' ALA . 24.2 mm -105.67 134.53 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.454 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 72.7 m-85 -141.31 166.54 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.664 HG21 HD21 ' A' ' 60' ' ' LEU . 92.9 t -109.9 115.88 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.61 ' HB2' HG21 ' A' ' 26' ' ' ILE . 46.9 t -107.12 -4.74 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.71 153.74 34.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.587 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 14.4 mt -153.18 118.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.539 HG12 ' H ' ' A' ' 52' ' ' GLY . 55.2 t -69.52 120.94 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -62.06 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -11.96 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.539 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -67.75 156.2 52.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.8 11.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.545 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -84.94 -37.49 20.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.587 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.09 -40.34 11.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 58' ' ' GLY . 26.7 mm-40 -102.06 -27.58 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.14 -63.02 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.76 3.13 55.16 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.664 HD21 HG21 ' A' ' 45' ' ' VAL . 9.5 tp -67.71 167.53 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -151.91 128.68 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.539 HG22 ' CG ' ' A' ' 63' ' ' HIS . 4.4 mt -46.84 153.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.539 ' CG ' HG22 ' A' ' 62' ' ' ILE . 35.8 m-70 60.76 46.28 9.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.644 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 7.4 m-20 -124.8 139.79 53.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 6.6 ttt180 -98.18 116.58 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.35 136.75 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.841 HD11 ' HB2' ' A' ' 98' ' ' LEU . 1.7 mm -103.17 -50.0 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -144.54 153.16 41.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.027 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.3 117.52 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.48 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 3.8 t-20 58.39 17.0 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.07 -0.42 57.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.69 124.75 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -78.11 120.58 23.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.511 HD11 ' CG1' ' A' ' 69' ' ' VAL . 13.6 mt -120.29 -3.64 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.37 -35.99 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -112.82 22.61 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -102.59 170.42 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.415 ' CA ' HD11 ' A' ' 43' ' ' ILE . 5.5 t -109.07 168.04 9.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.561 ' CD2' HG13 ' A' ' 25' ' ' ILE . 46.2 t-80 -49.4 -45.03 45.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -52.1 63.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -64.16 -50.04 69.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -48.95 -52.52 24.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.7 t -52.55 -55.84 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.88 -41.61 74.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.92 -53.65 54.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.687 ' CE1' HG21 ' A' ' 69' ' ' VAL . 30.7 m-85 -67.59 -26.61 66.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -44.02 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.3 p -87.43 -0.13 56.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.59 148.38 48.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.48 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 2.5 mmmt -117.97 151.32 37.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -90.23 140.36 27.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 144.83 82.21 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 17.0 mt -96.59 111.4 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.9 t -83.58 110.9 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.027 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.42 150.87 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 4.5 tt0 -133.15 146.07 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.835 HG13 HD11 ' A' ' 12' ' ' LEU . 18.1 m -132.1 164.89 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.841 ' HB2' HD11 ' A' ' 67' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.938 ' C ' HD13 ' A' ' 10' ' ' LEU . 11.5 p -128.43 126.45 40.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.938 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -115.67 155.32 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -108.51 139.99 42.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.937 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.45 136.83 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.48 117.47 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.735 HD22 ' HA ' ' A' ' 54' ' ' ALA . 31.0 mt -110.96 155.61 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.538 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.432 ' HG ' ' CD1' ' A' ' 86' ' ' PHE . 3.8 mm? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.78 39.4 3.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.443 ' CE2' HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -178.4 -179.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.987 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -122.71 166.69 14.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.527 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.9 pt -139.78 148.91 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.369 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.545 HG21 ' HB2' ' A' ' 46' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.705 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.705 HD13 ' O ' ' A' ' 42' ' ' GLY . 31.8 mm -128.45 125.54 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.61 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 60.2 m-85 -137.4 162.73 32.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.826 HG21 HD21 ' A' ' 60' ' ' LEU . 73.2 t -103.69 122.61 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.545 ' HB2' HG21 ' A' ' 26' ' ' ILE . 11.0 t -106.13 -40.24 5.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.81 144.72 48.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.628 HD11 HG11 ' A' ' 45' ' ' VAL . 28.0 mt -140.42 121.83 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.89 118.61 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 52' ' ' GLY . 11.1 m-20 -49.81 -83.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t -40.41 -29.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 50' ' ' ASP . . . -48.61 152.19 2.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.2 12.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.735 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -84.26 -38.48 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.613 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.74 -42.82 9.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -49.46 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 58' ' ' GLY . 12.0 pt-20 -101.93 -28.79 12.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.718 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -32.25 -50.86 0.38 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.68 4.83 75.53 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.858 HD11 ' OD2' ' A' ' 64' ' ' ASP . 7.1 tp -67.99 171.25 7.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -157.74 126.85 5.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.601 HG22 ' CD2' ' A' ' 63' ' ' HIS . 3.1 mt -40.9 147.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.601 ' CD2' HG22 ' A' ' 62' ' ' ILE . 38.6 m-70 65.54 55.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.858 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -115.6 169.69 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.61 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 17.1 ttt180 -132.34 83.54 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.568 HG23 HG12 ' A' ' 95' ' ' VAL . 1.9 mt -50.3 133.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -106.96 -40.69 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -148.93 149.18 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.23 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.972 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -138.99 116.51 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 61.69 14.83 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.94 5.25 56.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.46 125.12 43.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.34 121.07 23.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 82' ' ' ALA . 16.4 mt -123.14 2.28 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -50.23 -38.45 40.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -112.72 21.96 15.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.14 170.88 8.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.4 t -107.44 167.89 9.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.527 ' CD2' HG13 ' A' ' 25' ' ' ILE . 55.1 t-80 -51.0 -41.51 59.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.605 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -52.26 66.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -49.47 73.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.578 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.53 -52.36 30.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.443 ' CG2' HD11 ' A' ' 25' ' ' ILE . 26.0 t -54.61 -55.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 88' ' ' THR . 8.3 tt0 -50.58 -47.27 58.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -54.11 -56.83 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CE1' HG21 ' A' ' 69' ' ' VAL . 20.5 m-85 -60.65 -25.62 66.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -51.49 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.819 HG23 ' O ' ' A' ' 84' ' ' GLU . 14.8 p -79.26 -4.99 53.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -70.97 149.84 46.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -119.76 151.67 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 3.5 mp0 -88.68 144.0 32.73 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.98 138.5 56.44 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.043 -0.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.457 HG22 HG22 ' A' ' 95' ' ' VAL . 23.4 mt -91.04 111.88 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.5 t -84.19 110.98 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.972 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -114.97 151.05 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -133.08 139.05 46.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.937 HG13 HD11 ' A' ' 12' ' ' LEU . 11.4 m -128.6 165.23 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.7 ' HB2' HD11 ' A' ' 67' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 3.2 tptt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.645 ' C ' HD12 ' A' ' 10' ' ' LEU . 32.9 p -109.76 117.83 34.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.645 HD12 ' C ' ' A' ' 9' ' ' SER . 1.4 mp -106.17 147.97 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -99.98 140.83 33.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.078 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -144.68 139.6 28.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.466 HG12 ' CE1' ' A' ' 15' ' ' HIS . 24.8 t -99.39 116.33 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 95' ' ' VAL . 74.9 mt -107.07 155.54 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.466 ' CE1' HG12 ' A' ' 13' ' ' VAL . 1.7 m-70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.589 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.423 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 4.4 mm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 103.2 29.65 5.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CE1' ' HB3' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -171.11 -178.62 2.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 111.016 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.56 -174.2 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.53 ' CD1' ' CB ' ' A' ' 82' ' ' ALA . 3.1 pt -149.84 160.63 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.9 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.515 HD11 ' O ' ' A' ' 77' ' ' ALA . 26.2 mm -111.82 128.18 68.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.523 ' CE2' ' HG3' ' A' ' 65' ' ' ARG . 79.1 m-85 -138.31 158.42 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.458 HG21 ' OD2' ' A' ' 64' ' ' ASP . 33.5 t -96.24 124.87 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB2' HG21 ' A' ' 26' ' ' ILE . 38.7 t -122.72 6.29 9.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.066 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.83 149.59 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 11.6 mt -153.54 118.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.634 HG12 ' H ' ' A' ' 52' ' ' GLY . 68.0 t -69.32 131.23 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.83 -75.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.36 -21.4 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.634 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -51.4 151.13 6.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -2.25 12.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -89.88 -33.4 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.58 -19.74 22.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -74.72 -82.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' GLY . 11.7 mm-40 -101.97 -19.26 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.507 ' CA ' HD23 ' A' ' 14' ' ' LEU . . . -35.7 -65.53 0.45 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.94 3.55 48.78 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.972 HD11 ' OD2' ' A' ' 64' ' ' ASP . 9.8 tp -71.35 171.42 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -158.42 123.01 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.575 HG22 ' CD2' ' A' ' 63' ' ' HIS . 2.7 mt -38.37 152.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.575 ' CD2' HG22 ' A' ' 62' ' ' ILE . 25.4 m-70 65.06 44.73 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.972 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -115.2 143.01 45.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.523 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 9.3 ttt180 -105.51 91.5 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mt -50.44 140.58 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.822 HG13 HD13 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -114.1 -44.06 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.97 152.6 37.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.996 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.93 117.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 1.8 t-20 55.35 19.79 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.16 -3.35 56.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.84 126.91 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.46 ' O ' HD23 ' A' ' 74' ' ' LEU . 25.6 t70 -80.72 129.47 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.462 HD11 HG11 ' A' ' 69' ' ' VAL . 16.0 mt -125.07 2.7 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 t -54.55 -36.82 64.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -112.75 20.8 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.515 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -99.9 171.29 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.402 ' CA ' HD11 ' A' ' 43' ' ' ILE . 1.7 p -107.21 -177.25 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.443 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.519 ' CD2' HG13 ' A' ' 25' ' ' ILE . 57.8 t-80 -62.6 -42.79 99.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -52.08 66.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -61.35 -48.38 81.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -52.09 -57.3 9.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.6 t -51.84 -54.4 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.786 ' O ' HG23 ' A' ' 88' ' ' THR . 4.9 tt0 -50.44 -46.34 56.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -55.06 -57.24 12.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.745 ' CE1' HG21 ' A' ' 69' ' ' VAL . 47.6 m-85 -64.27 -25.53 68.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 83' ' ' VAL . 29.5 ttpt -74.14 -49.14 25.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 84' ' ' GLU . 18.5 p -84.04 -7.48 59.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -65.98 150.23 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.441 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.4 mmmt -117.59 152.29 35.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -91.0 143.39 28.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 141.61 72.29 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.998 -0.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 22.5 mt -93.18 111.86 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' ASN . 61.4 t -82.99 110.41 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.996 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -115.71 150.48 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -128.7 136.14 50.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 1.078 HG13 HD11 ' A' ' 12' ' ' LEU . 5.0 m -124.65 165.16 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.822 HD13 HG13 ' A' ' 67' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mttt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.891 ' C ' HD13 ' A' ' 10' ' ' LEU . 13.4 p -103.73 125.65 50.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.891 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -120.35 145.69 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -102.91 140.52 37.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -141.32 137.23 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.87 116.56 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 32.8 mt -107.83 154.06 22.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' O ' HD13 ' A' ' 21' ' ' LEU . 81.4 m-70 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 15' ' ' HIS . 3.8 mm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.88 43.23 1.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.402 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -179.19 177.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.08 161.71 36.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.456 HD12 ' CB ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -124.77 157.58 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 pt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.8 mm -101.94 129.88 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 49.3 m-85 -143.81 154.45 43.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.568 HG21 HD21 ' A' ' 60' ' ' LEU . 95.0 t -96.01 116.21 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.9 t -114.02 -8.42 13.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -140.43 146.64 38.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.503 HD11 HG11 ' A' ' 45' ' ' VAL . 12.5 mt -153.63 116.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.578 HG12 ' H ' ' A' ' 52' ' ' GLY . 94.2 t -72.02 117.02 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -53.59 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -13.98 30.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.578 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -61.69 153.67 40.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -89.22 -31.84 17.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.439 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.0 -30.99 15.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -61.92 -83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' GLY . 67.3 mt-10 -101.77 -24.83 14.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.01 -63.64 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.977 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.87 2.31 52.28 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.568 HD21 HG21 ' A' ' 45' ' ' VAL . 6.3 tp -66.2 173.32 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -159.98 123.68 3.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.522 HG22 ' CG ' ' A' ' 63' ' ' HIS . 2.4 mt -40.97 155.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 62' ' ' ILE . 11.8 m-70 57.2 49.62 13.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 29.6 m-20 -128.39 122.78 32.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 25.3 ttt180 -85.72 106.78 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.436 HG23 HG12 ' A' ' 95' ' ' VAL . 1.5 mt -62.01 143.86 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.809 HG13 HD13 ' A' ' 98' ' ' LEU . 1.1 mm -110.66 -49.17 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -142.94 152.68 42.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.014 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -141.18 115.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.452 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 4.6 t-20 60.32 15.62 5.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.65 -2.98 53.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.49 124.76 38.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 0.736 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.555 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -77.59 128.1 33.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.576 HD11 ' CG1' ' A' ' 69' ' ' VAL . 8.1 mt -124.32 2.29 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 t -54.69 -39.33 68.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -111.92 21.45 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.62 179.78 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 p -116.1 176.83 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.685 ' O ' HG23 ' A' ' 83' ' ' VAL . 60.2 t-80 -60.22 -33.6 72.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.7 -52.07 54.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -66.45 -50.47 63.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.463 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -51.41 -50.08 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 79' ' ' HIS . 37.8 t -57.06 -55.85 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 88' ' ' THR . 10.8 tt0 -53.11 -39.09 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.622 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -59.04 -55.98 28.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.594 ' CE1' HG21 ' A' ' 69' ' ' VAL . 26.5 m-85 -65.34 -25.69 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.31 -47.07 20.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 84' ' ' GLU . 69.1 p -85.81 -3.0 58.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.33 148.15 52.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.452 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 3.8 mmmt -116.14 152.75 33.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.529 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 12.2 mt-10 -91.15 141.47 26.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.05 145.02 82.72 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.976 0.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.422 HG22 HG22 ' A' ' 95' ' ' VAL . 19.2 mt -96.68 111.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -83.61 111.13 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.014 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.74 150.72 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 6.2 tt0 -135.82 147.26 48.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.586 HG23 HD23 ' A' ' 10' ' ' LEU . 15.5 m -135.84 164.73 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.809 HD13 HG13 ' A' ' 67' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.449 ' HA ' HD12 ' A' ' 98' ' ' LEU . 94.3 p -107.93 128.92 55.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.53 157.37 38.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.75 140.93 43.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.493 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -138.84 136.69 35.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -98.71 116.99 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD12 ' HE1' ' A' ' 86' ' ' PHE . 58.9 mt -103.88 154.51 19.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.403 ' O ' HD13 ' A' ' 21' ' ' LEU . 84.3 m-70 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 21' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.567 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 101.32 44.57 1.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.7 p90 -178.84 177.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -141.6 165.28 27.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.573 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.5 pt -126.39 162.64 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.607 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.4 pt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.441 HD11 ' O ' ' A' ' 77' ' ' ALA . 19.5 mm -101.83 118.82 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 56.1 m-85 -133.84 153.24 51.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.478 ' CG1' HG13 ' A' ' 48' ' ' ILE . 77.5 t -90.07 124.31 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.607 ' HB2' HG21 ' A' ' 26' ' ' ILE . 36.0 t -113.38 -20.74 11.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -134.49 152.88 52.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.478 HG13 ' CG1' ' A' ' 45' ' ' VAL . 3.5 mt -156.86 111.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 2.4 m -67.88 149.92 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -78.09 -79.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -34.15 -52.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.531 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -33.38 150.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.0 -11.75 21.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.448 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -73.15 -28.89 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -94.19 -38.06 11.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -56.58 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 58' ' ' GLY . 10.9 mt-10 -100.86 -24.43 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -29.79 -57.33 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.85 -12.53 67.18 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 60' ' ' LEU . 6.7 tp -53.74 168.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -165.69 126.71 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.73 HG22 ' CD2' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -41.09 148.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.73 ' CD2' HG22 ' A' ' 62' ' ' ILE . 2.0 m80 68.9 35.4 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 33.5 m-20 -117.73 119.46 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 42.3 ttt180 -85.66 107.76 17.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.479 HG23 HG12 ' A' ' 95' ' ' VAL . 1.1 mt -63.42 139.27 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.782 HG13 HD13 ' A' ' 98' ' ' LEU . 1.1 mm -106.29 -46.04 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -147.78 151.64 36.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.981 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.6 118.04 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.533 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 6.7 t-20 57.64 17.36 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.21 -4.28 55.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.46 127.59 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.972 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -78.99 137.82 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.972 HD23 ' O ' ' A' ' 73' ' ' ASP . 6.5 mt -143.89 24.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 p -68.36 -44.98 74.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -112.42 9.42 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -75.47 173.34 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 p -101.34 156.66 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.645 ' O ' HG23 ' A' ' 83' ' ' VAL . 36.0 t-80 -49.29 -26.07 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -46.32 50.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -65.3 -54.89 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.715 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.81 -51.95 35.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 79' ' ' HIS . 25.5 t -53.42 -55.7 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -53.27 -44.53 68.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -54.09 -54.2 42.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.856 ' CE1' HG21 ' A' ' 69' ' ' VAL . 31.7 m-85 -64.58 -26.97 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -45.58 39.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 74.7 p -87.71 0.61 55.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.7 150.43 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.533 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 4.5 mmmt -121.16 153.67 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 14.3 mt-10 -89.52 142.66 29.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.1 Cg_endo -75.01 140.93 70.07 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.997 0.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.52 HG22 HG22 ' A' ' 95' ' ' VAL . 28.3 mt -93.21 111.05 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 70' ' ' ASN . 44.4 t -83.62 109.97 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.981 HG13 HG23 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -115.97 150.82 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.8 tt0 -134.56 141.02 46.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.493 ' CG2' HD21 ' A' ' 12' ' ' LEU . 12.5 m -131.12 165.15 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.782 HD13 HG13 ' A' ' 67' ' ' ILE . 1.7 mp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.515 ' C ' HD12 ' A' ' 10' ' ' LEU . 2.7 p -113.68 115.05 27.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -102.79 146.27 28.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.04 141.06 32.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -141.54 136.59 31.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 41.3 t -99.34 116.98 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' A' ' 54' ' ' ALA . 29.4 mt -107.81 154.6 21.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.547 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.85 33.74 5.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -176.29 -179.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 111.02 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.405 ' N ' ' HE2' ' A' ' 47' ' ' LYS . 1.2 t-20 -135.76 162.86 31.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.566 HG13 ' CD2' ' A' ' 79' ' ' HIS . 4.8 pt -129.68 163.06 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.465 HG21 ' HB2' ' A' ' 46' ' ' SER . 1.6 pt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.468 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 77' ' ' ALA . 17.1 mm -110.55 129.31 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 89.7 m-85 -143.59 151.71 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.652 HG21 HD21 ' A' ' 60' ' ' LEU . 89.2 t -95.67 124.73 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.465 ' HB2' HG21 ' A' ' 26' ' ' ILE . 11.2 t -117.52 -7.17 11.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 109.941 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 23' ' ' PHE . 7.1 ttpt -148.92 145.33 27.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.693 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 36.2 mt -147.94 121.38 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 52' ' ' GLY . 40.5 t -69.55 119.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.18 -72.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -18.61 11.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.438 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -55.97 153.97 15.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.3 Cg_endo -74.98 -2.46 12.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.631 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -82.92 -41.37 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.693 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -90.75 -37.07 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -55.13 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' GLY . 46.6 mt-10 -101.26 -29.64 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.616 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -35.67 -60.11 0.82 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.59 -9.52 58.85 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 45' ' ' VAL . 10.0 tp -55.36 166.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -156.31 129.89 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.631 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.6 mt -43.35 156.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.631 ' CD2' HG22 ' A' ' 62' ' ' ILE . 10.1 m170 60.42 45.56 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 17.6 m-20 -128.12 133.45 48.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 22.5 ttt180 -98.2 110.9 23.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.506 HG23 HG12 ' A' ' 95' ' ' VAL . 1.3 mt -63.55 140.88 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.757 ' CD1' HD13 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -107.42 -44.16 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -151.4 153.21 34.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.942 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.43 113.58 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.644 ' HA ' HG12 ' A' ' 94' ' ' VAL . 3.0 t-20 72.69 -47.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 69' ' ' VAL . . . 160.09 23.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.601 ' HB3' HD21 ' A' ' 74' ' ' LEU . 1.1 mtt180 -115.86 134.41 55.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.975 ' O ' HD23 ' A' ' 74' ' ' LEU . 16.3 t0 -71.17 121.17 17.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.975 HD23 ' O ' ' A' ' 73' ' ' ASP . 6.4 mt -133.25 15.53 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.431 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 3.0 t -65.76 -46.93 76.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -113.26 21.36 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.615 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -84.89 169.47 14.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -100.23 170.45 8.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.566 ' CD2' HG13 ' A' ' 25' ' ' ILE . 48.1 t-80 -55.1 -36.46 65.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -49.5 72.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.24 -50.69 67.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -53.2 -56.19 18.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 79' ' ' HIS . 50.2 t -52.89 -54.66 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 88' ' ' THR . 1.3 tp10 -50.27 -48.78 54.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.23 -54.15 40.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.635 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.2 m-85 -64.96 -25.62 67.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -76.84 -38.99 52.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 84' ' ' GLU . 19.0 p -99.25 7.58 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.368 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.61 140.07 47.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.48 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 30.3 mmtt -104.09 152.83 21.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 14.7 mt-10 -95.56 140.81 22.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.99 146.27 86.2 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.03 -2.487 . . . . 0.0 111.021 -0.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 9.4 mt -95.99 111.94 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 70' ' ' ASN . 3.8 p -83.54 108.47 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.942 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -112.8 149.16 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -134.91 145.09 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 60' ' ' LEU . 26.9 m -135.01 162.87 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.487 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.2 mptt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.344 -0.614 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.427 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 65.9 p -106.28 132.08 52.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.684 ' N ' HE21 ' A' ' 96' ' ' GLN . 5.4 mt -124.82 157.44 35.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -108.82 140.7 41.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.8 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.8 138.64 39.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 92' ' ' PRO . 0.3 OUTLIER -99.75 117.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.668 HD12 HG21 ' A' ' 95' ' ' VAL . 73.9 mt -105.61 154.65 20.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.708 ' O ' HD13 ' A' ' 21' ' ' LEU . 48.1 m-70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 15' ' ' HIS . 3.1 mm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.596 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 102.44 43.68 1.96 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.8 p90 -176.35 173.2 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -130.01 167.37 18.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 83' ' ' VAL . 1.3 pt -128.8 158.79 41.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.505 HG21 ' HB2' ' A' ' 46' ' ' SER . 1.3 pt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.0 mm -100.52 126.96 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.537 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 72.4 m-85 -138.95 166.82 23.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' HIS . 90.0 t -107.09 130.86 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.505 ' HB2' HG21 ' A' ' 26' ' ' ILE . 12.6 t -120.47 -38.37 2.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.03 147.35 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.46 HD11 ' HG ' ' A' ' 60' ' ' LEU . 3.0 mt -154.2 102.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.596 HG22 ' CA ' ' A' ' 22' ' ' GLY . 2.3 m -66.81 149.15 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.548 ' O ' ' C ' ' A' ' 51' ' ' SER . 31.1 m-20 -76.08 -88.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 50' ' ' ASP . 2.2 m -26.51 -48.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.494 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -36.76 150.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.5 Cg_endo -74.96 -8.24 19.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -77.17 -33.13 56.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -93.41 -36.74 12.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -57.31 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 58' ' ' GLY . 40.0 mt-10 -100.97 -25.22 14.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -30.96 -57.39 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.22 -10.72 67.55 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.491 ' CD1' HG11 ' A' ' 97' ' ' VAL . 6.2 tp -52.57 165.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.34 126.9 8.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.583 HG22 ' CD2' ' A' ' 63' ' ' HIS . 2.0 mt -42.84 147.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.583 ' CD2' HG22 ' A' ' 62' ' ' ILE . 27.8 m-70 61.61 50.7 4.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 44' ' ' PHE . 13.8 m-20 -123.5 134.59 53.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.537 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 17.0 ttt180 -92.99 108.37 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.91 136.49 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.551 ' CD1' HD12 ' A' ' 98' ' ' LEU . 3.5 mm -103.2 -52.1 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -143.65 155.15 44.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.082 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.4 116.44 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.522 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 4.2 t-20 55.6 19.83 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.65 -0.67 58.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 124.63 35.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.427 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -75.8 120.71 21.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.552 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 16.8 mt -116.2 -7.02 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.3 t -53.8 -36.55 62.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -112.8 21.56 15.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -104.56 174.4 5.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 p -111.51 173.21 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.549 ' CD2' HG13 ' A' ' 25' ' ' ILE . 37.6 t-80 -55.5 -39.75 70.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.623 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -52.09 66.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.62 -49.02 74.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 1.065 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.432 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -50.15 -51.73 41.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 25' ' ' ILE . 12.7 t -55.21 -56.23 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -51.34 -42.86 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.51 -56.41 21.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 69' ' ' VAL . 40.3 m-85 -64.62 -25.45 67.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -42.7 38.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.5 p -90.11 -2.65 58.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -70.33 148.12 48.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.522 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 24.6 mmtt -115.32 151.9 33.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.3 mp0 -90.64 141.99 27.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.92 143.66 78.52 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.006 -0.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.466 HG22 HG22 ' A' ' 95' ' ' VAL . 18.9 mt -95.15 111.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.69 110.06 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.082 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.27 151.5 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.684 HE21 ' N ' ' A' ' 10' ' ' LEU . 1.1 tt0 -130.05 132.04 46.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.8 ' CG2' HD21 ' A' ' 12' ' ' LEU . 15.6 m -124.39 165.38 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.551 HD12 ' CD1' ' A' ' 67' ' ' ILE . 18.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -120.96 118.9 31.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mt -110.46 151.16 27.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -101.55 141.11 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.019 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.45 137.81 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.04 117.03 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.698 HD23 ' HA2' ' A' ' 58' ' ' GLY . 46.8 mt -109.04 155.68 20.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 1.4 mm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 102.68 29.22 5.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.4 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -170.1 -169.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.16 163.17 37.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.494 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.3 pt -130.09 162.8 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.519 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.8 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.511 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.527 HD11 ' O ' ' A' ' 77' ' ' ALA . 16.4 mm -111.88 128.54 68.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 82.2 m-85 -141.74 154.92 45.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.404 HG21 ' OD2' ' A' ' 64' ' ' ASP . 45.8 t -90.54 127.5 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB2' HG21 ' A' ' 26' ' ' ILE . 47.2 t -123.11 3.78 9.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.952 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.41 148.82 18.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.476 HD12 ' N ' ' A' ' 62' ' ' ILE . 12.9 mt -152.51 117.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' GLY . 22.5 t -71.13 119.54 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -48.17 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -21.83 12.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.1 147.02 1.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.615 ' HA ' ' CG ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -75.05 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.604 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -91.83 -19.61 22.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . -94.72 -60.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.615 ' CG ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -40.28 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.7 mt-10 -90.98 -43.93 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.698 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -20.75 -55.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . 89.06 4.15 75.19 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.004 HD11 ' OD2' ' A' ' 64' ' ' ASP . 10.2 tp -69.55 170.53 10.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -162.37 126.37 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.672 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.1 mt -38.91 150.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.672 ' CD2' HG22 ' A' ' 62' ' ' ILE . 9.2 m170 68.73 45.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.619 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 1.004 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -117.34 142.17 47.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 7.0 ttt180 -107.46 89.4 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.447 HG23 HG12 ' A' ' 95' ' ' VAL . 1.6 mt -50.17 135.91 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.679 ' CD1' HD13 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -108.07 -42.49 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.87 152.71 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.015 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.91 116.02 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 2.4 t-20 58.15 17.7 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.97 -1.61 55.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.22 129.65 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.671 ' O ' HD23 ' A' ' 74' ' ' LEU . 8.6 t0 -81.26 129.29 34.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 73' ' ' ASP . 14.0 mt -131.68 11.9 4.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.5 p -58.44 -42.73 88.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -112.32 21.48 15.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.527 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -93.27 171.68 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -107.19 166.54 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.42 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.537 ' O ' HG23 ' A' ' 83' ' ' VAL . 21.7 t-80 -51.25 -38.65 53.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -51.63 67.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -65.32 -47.64 75.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.499 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -55.41 -56.84 15.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 79' ' ' HIS . 45.3 t -51.84 -51.45 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.8 -45.51 74.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.26 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.548 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.58 -53.64 48.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.505 ' CE1' HG21 ' A' ' 69' ' ' VAL . 35.1 m-85 -64.73 -25.59 68.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -77.91 -43.94 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.0 p -87.02 -5.42 59.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -71.67 147.77 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.456 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -114.87 152.67 31.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.1 mt-10 -89.81 142.9 29.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.97 145.1 83.0 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -0.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.414 HG22 HG22 ' A' ' 95' ' ' VAL . 21.5 mt -97.85 111.9 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.4 t -83.56 110.33 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.015 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -115.49 151.01 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 3.0 tt0 -129.87 141.9 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 1.019 HG13 HD11 ' A' ' 12' ' ' LEU . 5.3 m -130.03 164.84 31.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.679 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.675 ' C ' HD13 ' A' ' 10' ' ' LEU . 28.6 p -115.64 124.71 51.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.675 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -112.82 157.01 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -108.61 140.31 42.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.566 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.54 134.6 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 56.9 t -98.69 116.4 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 ' HA ' ' A' ' 54' ' ' ALA . 39.2 mt -108.78 154.76 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.589 ' O ' HD13 ' A' ' 21' ' ' LEU . 66.6 m-70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.582 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.74 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 4.3 mm? . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.41 40.23 85.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.123 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -177.49 -175.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 111.042 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.79 -172.96 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.543 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.1 pt -150.93 157.74 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.419 ' CG2' ' HB3' ' A' ' 46' ' ' SER . 3.9 pt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 42' ' ' GLY . 16.5 mm -111.44 128.27 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 68.5 m-85 -145.21 149.73 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.941 HG21 HD21 ' A' ' 60' ' ' LEU . 99.5 t -89.92 122.88 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.419 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 43.9 t -118.17 3.83 12.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -154.66 148.05 25.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.538 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 26.2 mt -154.07 125.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.466 HG12 ' H ' ' A' ' 52' ' ' GLY . 58.8 t -80.05 120.49 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.083 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -45.64 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -22.28 4.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.466 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -45.14 151.68 0.82 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -2.25 12.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -89.76 -33.89 16.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.87 -38.1 12.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 58' ' ' GLY . 42.3 mm-40 -101.78 -27.59 12.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.59 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -33.13 -60.89 0.43 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.117 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.37 4.98 59.38 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.941 HD21 HG21 ' A' ' 45' ' ' VAL . 9.7 tp -69.65 168.62 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' ILE . 1.1 mt-30 -157.1 123.44 4.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.481 HG22 ' CD2' ' A' ' 63' ' ' HIS . 2.2 mt -37.97 151.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.481 ' CD2' HG22 ' A' ' 62' ' ' ILE . 30.9 m-70 66.12 49.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.927 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -114.0 171.51 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.597 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 13.7 ttt180 -134.96 85.27 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.615 HG23 HG12 ' A' ' 95' ' ' VAL . 1.5 mt -50.52 135.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.524 ' CD1' ' O ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -108.37 -42.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -148.19 150.88 34.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 110.258 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.954 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.94 117.04 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.693 ' HA ' HG12 ' A' ' 94' ' ' VAL . 3.4 t-20 58.66 16.48 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.29 -1.17 54.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.71 127.35 39.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -82.58 126.29 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 11.3 mt -124.08 1.59 8.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 t -50.32 -38.33 41.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -112.64 21.84 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.7 178.03 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 p -116.25 -177.49 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.695 ' O ' HG23 ' A' ' 83' ' ' VAL . 31.9 t-80 -64.66 -33.84 76.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.36 -50.79 62.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.91 -46.1 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 85' ' ' ALA . . . -54.69 -52.5 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 79' ' ' HIS . 48.5 t -55.86 -55.13 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -52.02 -40.04 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.62 -54.47 45.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.445 ' HE1' HD12 ' A' ' 14' ' ' LEU . 25.8 m-85 -65.64 -26.43 67.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -75.88 -48.34 21.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.1 p -83.39 -5.88 59.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -71.09 143.81 50.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.476 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 22.6 mmtm -109.26 154.51 22.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.528 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.2 mt-10 -91.44 142.93 27.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.98 146.13 85.82 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.025 -0.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 19.7 mt -97.89 112.35 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 70' ' ' ASN . 7.2 p -84.07 112.17 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.954 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.84 147.42 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 2.6 tt0 -131.04 141.04 50.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.605 HG11 ' OD2' ' A' ' 64' ' ' ASP . 30.8 m -129.62 165.07 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.507 HD12 HD12 ' A' ' 67' ' ' ILE . 13.0 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.451 ' HA ' HD12 ' A' ' 98' ' ' LEU . 41.2 p -114.02 125.24 53.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 mt -117.49 156.44 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -108.77 140.88 41.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.541 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.98 133.97 34.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 66.4 t -98.46 116.9 42.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.558 HD12 HG21 ' A' ' 95' ' ' VAL . 66.7 mt -103.95 154.27 19.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.625 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.02 34.21 4.37 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -178.22 -179.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.967 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.33 -176.52 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.443 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.0 pt -150.63 162.64 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.494 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.7 pt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.444 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.444 HD13 ' O ' ' A' ' 42' ' ' GLY . 23.9 mm -111.68 120.62 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.598 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 48.5 m-85 -134.59 165.42 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.788 HG23 ' OD1' ' A' ' 64' ' ' ASP . 74.7 t -105.56 120.64 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.494 ' HB2' HG21 ' A' ' 26' ' ' ILE . 40.9 t -114.28 6.85 16.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.89 146.83 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.657 HG22 ' HB2' ' A' ' 55' ' ' ALA . 53.0 mt -150.31 131.36 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.612 HG12 ' H ' ' A' ' 52' ' ' GLY . 96.8 t -79.18 118.05 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -69.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -15.88 14.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.95 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.612 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -57.31 154.36 20.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -2.11 12.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -90.57 -33.19 15.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.657 ' HB2' HG22 ' A' ' 48' ' ' ILE . . . -91.58 -32.15 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -60.48 -83.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLY . 7.4 mm-40 -101.93 -24.21 14.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -34.36 -56.87 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.1 -0.05 62.01 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.872 HD11 ' OD2' ' A' ' 64' ' ' ASP . 7.1 tp -65.91 167.82 9.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -159.7 126.82 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.653 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.3 mt -37.71 153.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.653 ' CD2' HG22 ' A' ' 62' ' ' ILE . 8.9 m170 62.72 51.45 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.585 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.872 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -113.85 168.56 9.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.598 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 7.6 ttt180 -132.24 83.74 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.529 HG23 HG12 ' A' ' 95' ' ' VAL . 1.6 mt -50.48 125.45 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.798 HG13 HD13 ' A' ' 98' ' ' LEU . 1.4 mm -98.55 -45.33 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -149.91 154.32 38.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.109 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -138.62 113.1 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 72.77 -50.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 69' ' ' VAL . . . 163.81 24.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -116.05 123.89 49.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.641 ' C ' HD23 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -61.84 113.24 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.641 HD23 ' C ' ' A' ' 73' ' ' ASP . 9.7 mt -115.81 0.6 13.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -63.1 -41.04 99.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -112.68 22.34 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -96.05 177.28 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -115.9 166.25 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 83' ' ' VAL . 56.5 t-80 -49.79 -38.62 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -52.79 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -67.05 -47.56 70.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.51 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -50.43 -48.18 56.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 79' ' ' HIS . 33.7 t -60.26 -55.49 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -50.23 -40.57 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -57.56 -56.4 22.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.909 ' CE1' HG21 ' A' ' 69' ' ' VAL . 33.7 m-85 -65.75 -26.04 67.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -38.57 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.1 p -100.68 6.8 44.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.372 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.56 145.57 47.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -115.54 150.79 36.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.5 mp0 -91.13 144.23 29.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.04 134.11 34.45 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.013 0.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.457 HG22 HG22 ' A' ' 95' ' ' VAL . 16.0 mt -85.4 110.01 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -86.2 110.66 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.109 HG13 HG23 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -115.63 151.02 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -131.73 136.68 47.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.691 HG11 ' OD2' ' A' ' 64' ' ' ASP . 17.1 m -130.65 162.0 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.798 HD13 HG13 ' A' ' 67' ' ' ILE . 4.5 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 p -115.28 116.39 28.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.7 mt -105.79 153.61 21.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.31 140.45 38.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.49 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.49 133.02 28.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -98.69 116.67 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD23 ' HA2' ' A' ' 58' ' ' GLY . 39.1 mt -105.66 154.62 20.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.568 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 2.8 mm? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 23' ' ' PHE . . . 102.22 50.95 1.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.455 ' HB3' ' O ' ' A' ' 22' ' ' GLY . 1.4 p90 178.51 172.9 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 0.721 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -132.7 159.58 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.579 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.4 pt -125.94 159.88 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.596 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.0 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.2 mm -100.63 119.54 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -138.02 150.15 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.47 HG21 HD21 ' A' ' 60' ' ' LEU . 85.2 t -92.21 125.2 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.596 ' HB2' HG21 ' A' ' 26' ' ' ILE . 20.9 t -113.13 -25.9 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 48' ' ' ILE . 1.1 tmtp? -127.56 152.55 47.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.57 HD11 ' HG ' ' A' ' 60' ' ' LEU . 3.3 mt -156.13 102.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.553 ' CG1' ' HA3' ' A' ' 52' ' ' GLY . 4.1 p -63.59 149.01 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.28 -66.9 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.2 t -44.14 -47.58 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.553 ' HA3' ' CG1' ' A' ' 49' ' ' VAL . . . -35.73 147.89 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.431 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -74.97 -7.0 18.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.568 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -80.12 -32.1 39.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -92.13 -27.52 17.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 1.8 mmmt -66.44 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.1 pt-20 -100.71 -26.49 13.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.634 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -34.07 -55.22 0.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.57 4.39 73.33 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.57 ' HG ' HD11 ' A' ' 48' ' ' ILE . 11.0 tp -65.91 158.97 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 62' ' ' ILE . 2.3 tt0 -147.18 123.49 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.701 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.1 mt -40.16 154.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.701 ' CD2' HG22 ' A' ' 62' ' ' ILE . 0.8 OUTLIER 62.67 38.55 11.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 13.0 m-20 -117.38 125.78 51.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -89.5 103.83 16.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.236 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.428 HG23 HG12 ' A' ' 95' ' ' VAL . 1.4 mt -57.48 142.49 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.655 ' CD1' HD13 ' A' ' 98' ' ' LEU . 1.6 mm -110.24 -48.8 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -145.84 152.63 39.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.979 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.55 117.73 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.58 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 3.6 t-20 56.84 18.04 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.8 -3.11 55.85 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.15 126.82 39.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.666 ' O ' HD23 ' A' ' 74' ' ' LEU . 7.4 t70 -80.03 135.31 36.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 73' ' ' ASP . 12.8 mt -132.93 9.24 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.7 p -60.47 -40.36 90.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 20.58 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -95.91 177.55 5.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.4 t -114.99 164.31 14.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.579 ' CD2' HG13 ' A' ' 25' ' ' ILE . 49.1 t-80 -49.41 -35.44 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -52.13 62.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -66.39 -47.79 72.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.01 -55.11 19.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' HIS . 33.7 t -52.84 -55.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -51.14 -46.55 62.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.76 -52.84 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.55 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.3 m-85 -67.09 -26.08 66.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -75.93 -42.15 49.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -88.14 -12.05 45.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -58.09 150.71 20.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.58 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -118.75 152.83 35.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -91.99 139.88 24.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -75.01 143.43 77.77 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.001 0.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.455 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 15.0 mt -95.62 111.51 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.7 OUTLIER -83.61 112.9 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.979 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -118.47 150.15 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -133.66 136.77 44.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.49 HG13 HD11 ' A' ' 12' ' ' LEU . 22.0 m -127.7 165.76 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.655 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.593 ' C ' HD13 ' A' ' 10' ' ' LEU . 4.2 p -114.03 120.29 40.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.053 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.593 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -106.2 158.11 17.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -106.75 140.61 39.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.67 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -139.71 134.5 32.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -100.05 117.03 44.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.716 HD23 ' HA2' ' A' ' 58' ' ' GLY . 27.5 mt -108.98 154.91 21.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.629 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 21' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.98 44.32 1.78 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -177.44 177.52 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 0.776 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -134.73 154.86 51.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 2.6 pt -123.97 154.04 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.492 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.8 pt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.622 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.622 HD13 ' O ' ' A' ' 42' ' ' GLY . 33.4 mm -121.08 121.98 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 0.778 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CE2' ' HG3' ' A' ' 65' ' ' ARG . 78.7 m-85 -137.75 153.39 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.635 HG11 HD11 ' A' ' 48' ' ' ILE . 93.8 t -93.31 113.5 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.492 ' HB2' HG21 ' A' ' 26' ' ' ILE . 9.6 t -98.84 -40.85 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 155.32 32.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.635 HD11 HG11 ' A' ' 45' ' ' VAL . 4.3 mt -151.92 108.74 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.547 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 43.1 t -64.18 128.03 25.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.66 -70.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.49 -19.03 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.458 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -55.85 152.95 16.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.0 13.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -90.28 -34.88 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.95 -27.2 18.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -66.2 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' GLY . 6.3 mm-40 -101.19 -25.07 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.716 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -34.92 -55.39 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.59 6.0 66.32 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 97' ' ' VAL . 7.3 tp -67.15 172.77 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -158.1 130.98 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.622 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.8 mt -47.55 156.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.622 ' CD2' HG22 ' A' ' 62' ' ' ILE . 10.0 m170 58.01 47.69 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 40.8 m-20 -125.82 139.47 53.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.511 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 17.8 ttt180 -101.01 107.49 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.1 132.45 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.795 HD11 ' HB2' ' A' ' 98' ' ' LEU . 2.8 mm -96.13 -47.07 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -155.11 154.85 33.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.982 HG23 HG13 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -139.93 113.59 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 74.13 -50.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 162.94 23.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.663 ' HB3' HD21 ' A' ' 74' ' ' LEU . 5.4 mtt180 -116.2 124.78 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.692 ' C ' HD23 ' A' ' 74' ' ' LEU . 2.4 t0 -62.86 110.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.692 HD23 ' C ' ' A' ' 73' ' ' ASP . 7.6 mt -114.05 8.42 17.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.7 p -66.73 -47.67 71.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -113.25 21.69 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -87.19 179.05 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 p -113.26 163.19 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.696 ' O ' HG23 ' A' ' 83' ' ' VAL . 51.2 t-80 -50.5 -30.63 13.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.56 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -52.08 42.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.76 -49.53 70.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.603 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -53.8 -56.26 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 79' ' ' HIS . 52.4 t -52.13 -54.11 15.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 88' ' ' THR . 24.0 tt0 -55.6 -41.33 73.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.709 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -58.51 -52.61 64.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 69' ' ' VAL . 21.2 m-85 -66.36 -24.97 66.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -50.63 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 84' ' ' GLU . 22.0 p -80.77 -12.75 59.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -56.95 140.16 49.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -107.05 153.09 23.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.529 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 13.2 mt-10 -92.83 141.07 23.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.98 145.26 83.46 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.049 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 11.7 mt -96.27 111.67 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.2 t -83.85 110.65 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.982 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -115.67 150.44 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.8 OUTLIER -131.76 139.87 49.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.67 ' CG2' HD21 ' A' ' 12' ' ' LEU . 4.6 m -130.48 163.82 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 67' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.627 ' C ' HD12 ' A' ' 10' ' ' LEU . 25.2 p -114.63 116.42 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.4 mp -105.35 150.16 25.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -101.65 140.81 35.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.75 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -136.34 135.53 38.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 52.8 t -99.42 116.41 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.692 HD12 ' HE1' ' A' ' 86' ' ' PHE . 33.5 mt -99.59 154.27 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.426 ' O ' HD13 ' A' ' 21' ' ' LEU . 25.8 m-70 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.61 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 3.8 mm? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.567 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 96.29 46.49 2.57 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.6 174.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -133.3 171.31 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.618 HD11 HG23 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -134.22 155.45 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.3 pt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.494 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 42' ' ' GLY . 23.8 mm -113.95 120.41 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 25.7 m-85 -135.72 168.88 18.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.878 HG21 HD21 ' A' ' 60' ' ' LEU . 56.4 t -107.0 126.81 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.525 ' HB2' HG21 ' A' ' 26' ' ' ILE . 48.2 t -121.68 -6.56 9.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HA ' HD11 ' A' ' 62' ' ' ILE . 4.9 tttp -144.97 137.47 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.492 HG13 ' CG1' ' A' ' 45' ' ' VAL . 3.4 mt -146.47 112.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.766 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.8 m -71.96 149.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.562 ' O ' ' C ' ' A' ' 51' ' ' SER . 41.3 m-20 -73.62 -92.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.562 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -25.5 -50.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.539 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -33.09 144.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.517 ' HA ' ' CG ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -75.0 -3.53 14.06 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -84.34 -21.38 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -92.67 -60.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.517 ' CG ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -52.21 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.626 ' O ' ' C ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -74.62 -58.03 3.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.626 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -12.59 -65.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . 97.06 -1.43 60.93 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.922 HD11 ' OD2' ' A' ' 64' ' ' ASP . 7.6 tp -64.33 168.54 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.63 133.01 14.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.935 HG22 ' CD2' ' A' ' 63' ' ' HIS . 4.9 mm -47.36 135.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.935 ' CD2' HG22 ' A' ' 62' ' ' ILE . 62.6 m-70 73.95 59.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.922 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -117.8 173.9 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 9.7 ttt180 -133.8 82.75 2.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.587 HG23 HG12 ' A' ' 95' ' ' VAL . 2.1 mt -52.37 130.36 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.715 ' CD1' HD13 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -104.29 -41.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -147.47 150.48 34.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.065 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.05 115.97 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 1.9 t-20 62.37 13.98 6.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.07 1.47 55.98 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.08 124.36 37.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.654 ' O ' HD23 ' A' ' 74' ' ' LEU . 1.2 m-20 -73.11 122.62 22.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 73' ' ' ASP . 20.5 mt -127.05 5.39 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 p -55.36 -39.35 69.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -112.7 20.83 16.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -95.0 177.73 5.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -117.7 170.45 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.561 ' CD2' HG13 ' A' ' 25' ' ' ILE . 58.2 t-80 -51.57 -42.9 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.591 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -52.12 65.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.95 -50.65 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.55 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.41 -53.69 21.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.618 HG23 HD11 ' A' ' 25' ' ' ILE . 17.2 t -52.57 -56.47 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -51.06 -42.0 60.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.35 -54.39 46.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' A' ' 69' ' ' VAL . 45.5 m-85 -68.83 -25.74 64.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -37.25 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 p -100.48 0.11 39.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.26 145.04 55.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -112.74 151.15 30.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.3 mp0 -92.01 141.44 25.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.97 142.75 75.7 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.023 -0.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 12.2 mt -93.93 111.39 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.5 t -83.58 111.17 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.065 HG13 HG23 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -115.84 151.44 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.3 OUTLIER -134.28 137.77 44.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.75 HG13 HD11 ' A' ' 12' ' ' LEU . 35.8 m -130.61 164.2 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.715 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.518 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.0 mptm? . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.938 ' C ' HD13 ' A' ' 10' ' ' LEU . 14.7 p -126.51 129.96 49.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.938 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -121.99 154.43 37.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -107.1 140.89 39.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.676 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.51 148.63 39.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -102.27 116.79 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD11 HD22 ' A' ' 60' ' ' LEU . 36.0 mt -103.34 154.87 18.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.603 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.67 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.25 -55.28 5.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.732 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -75.31 -179.02 4.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.771 . . . . 0.0 110.995 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -136.18 161.57 35.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.531 HG13 ' CD2' ' A' ' 79' ' ' HIS . 3.9 pt -128.32 159.85 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 pt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 77' ' ' ALA . 12.9 mm -92.87 129.14 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 27.9 m-85 -142.62 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.639 HG21 HD21 ' A' ' 60' ' ' LEU . 94.3 t -100.15 119.2 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -114.37 -5.08 12.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.94 146.61 35.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.665 HD12 ' N ' ' A' ' 62' ' ' ILE . 6.5 mt -154.15 113.65 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.86 HG22 ' H ' ' A' ' 52' ' ' GLY . 2.1 p -71.54 138.17 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 52' ' ' GLY . 0.6 OUTLIER -68.27 -84.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -24.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.86 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -51.55 157.56 2.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -74.97 -12.24 21.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -73.49 -38.22 65.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -94.16 -42.56 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -45.65 -83.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.9 mm-40 -101.16 -32.17 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.586 ' CA ' HD23 ' A' ' 14' ' ' LEU . . . -26.45 -66.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.01 1.03 54.92 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.732 HD23 ' CD2' ' A' ' 23' ' ' PHE . 6.0 tp -70.06 168.66 15.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -153.29 128.09 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 48' ' ' ILE . 3.0 mt -43.2 150.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.573 ' CD2' HG22 ' A' ' 62' ' ' ILE . 36.0 m-70 61.8 49.74 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.571 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -134.28 125.61 28.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.226 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.574 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 41.8 ttt180 -85.96 126.0 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.432 ' C ' HD13 ' A' ' 67' ' ' ILE . 1.2 mt -77.03 132.72 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 67' ' ' ILE . 1.6 mm -99.26 -55.74 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -137.6 154.94 49.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.021 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -141.0 115.56 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.48 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 2.5 t-20 55.35 19.19 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.16 -4.42 52.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -92.52 131.89 37.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.635 ' O ' HD23 ' A' ' 74' ' ' LEU . 1.5 m-20 -81.87 129.75 34.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 73' ' ' ASP . 8.5 mt -124.51 2.92 8.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.0 t -60.21 -39.45 86.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.27 21.01 15.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -99.99 167.92 10.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 81' ' ' GLN . 9.2 t -102.83 166.58 10.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.531 ' CD2' HG13 ' A' ' 25' ' ' ILE . 50.9 t-80 -50.65 -41.38 55.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -52.2 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.422 ' H ' HG23 ' A' ' 78' ' ' THR . 8.9 mt-30 -62.48 -49.09 76.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.473 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -51.58 -50.67 59.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 79' ' ' HIS . 40.4 t -57.6 -55.7 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.787 ' O ' HG23 ' A' ' 88' ' ' THR . 6.9 tt0 -52.86 -46.6 67.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.18 -50.41 61.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.921 ' CE1' HG21 ' A' ' 69' ' ' VAL . 29.5 m-85 -68.45 -25.68 65.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -43.84 56.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 84' ' ' GLU . 10.3 p -87.32 0.21 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.72 154.38 40.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.48 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -128.73 145.62 51.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.6 mp0 -83.64 142.82 43.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.99 134.96 38.29 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.013 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.478 HG22 HG22 ' A' ' 95' ' ' VAL . 26.5 mt -88.46 113.08 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' ASN . 43.0 t -82.6 110.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.021 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -120.28 151.03 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.469 ' NE2' ' CB ' ' A' ' 9' ' ' SER . 8.2 tt0 -134.71 147.92 50.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.676 HG13 HD11 ' A' ' 12' ' ' LEU . 23.1 m -131.9 161.13 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 8' ' ' LYS . 11.6 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.653 ' O ' HD23 ' A' ' 98' ' ' LEU . 4.3 mptt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.857 ' C ' HD13 ' A' ' 10' ' ' LEU . 54.4 p -127.13 122.25 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.857 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -114.28 154.77 27.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.1 140.8 38.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.659 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.56 141.04 35.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -99.46 116.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.706 HD11 HD22 ' A' ' 60' ' ' LEU . 25.1 mt -101.3 155.1 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.424 ' C ' HD13 ' A' ' 21' ' ' LEU . 62.8 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.505 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 1.9 mm? . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.581 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 101.79 43.27 2.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.9 p90 -174.58 174.08 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.67 170.46 15.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.0 OUTLIER -132.61 161.39 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' A' ' 46' ' ' SER . 6.3 pt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.1 mm -101.86 120.95 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 24.1 m-85 -137.85 148.64 45.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.442 HG21 HD21 ' A' ' 60' ' ' LEU . 99.8 t -90.0 126.94 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.457 ' HB2' HG21 ' A' ' 26' ' ' ILE . 20.6 t -119.08 -5.93 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.58 149.25 32.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.488 HD11 ' HG ' ' A' ' 60' ' ' LEU . 8.7 mt -154.34 116.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.581 HG22 ' CA ' ' A' ' 22' ' ' GLY . 2.0 m -70.78 149.66 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.5 OUTLIER -76.06 -90.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.551 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -25.76 -49.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.495 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -32.22 147.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.01 -8.17 19.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -79.26 -30.54 43.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -94.48 -33.65 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 22.9 mmtt -61.01 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 58' ' ' GLY . 42.4 mt-10 -102.09 -18.24 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 54' ' ' ALA . . . -33.61 -65.88 0.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.09 -10.87 34.1 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.706 HD22 HD11 ' A' ' 14' ' ' LEU . 6.2 tp -62.26 169.19 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -163.96 128.65 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.632 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.6 mt -39.55 156.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.632 ' CD2' HG22 ' A' ' 62' ' ' ILE . 9.5 m170 57.63 51.06 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.06 118.97 18.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.579 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 57.9 ttt180 -83.49 116.64 22.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -70.01 136.21 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.466 HD12 HD12 ' A' ' 98' ' ' LEU . 1.1 mm -104.61 -48.54 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -144.29 151.86 39.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.027 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.65 117.04 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.478 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 5.4 t-20 57.08 19.96 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.3 -0.56 58.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.572 1.17 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.615 ' HG2' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -97.17 125.89 41.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.605 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -74.59 131.69 41.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.615 HD21 ' HG2' ' A' ' 72' ' ' ARG . 31.6 mt -123.9 0.63 8.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -60.08 -38.75 83.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.83 21.77 15.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -102.36 168.14 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 81' ' ' GLN . 8.5 t -102.98 176.35 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.426 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.56 ' CD2' HG13 ' A' ' 25' ' ' ILE . 57.7 t-80 -59.89 -38.4 82.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.557 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -52.16 63.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.449 ' H ' HG23 ' A' ' 78' ' ' THR . 15.8 mt-30 -61.78 -51.4 68.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -50.47 -54.79 19.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 79' ' ' HIS . 40.9 t -53.32 -54.96 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.73 -43.04 62.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.661 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.11 -53.6 55.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.663 ' CE1' HG21 ' A' ' 69' ' ' VAL . 39.4 m-85 -65.82 -25.06 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -76.73 -49.72 15.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 50.5 p -82.01 -10.52 59.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -62.73 153.32 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.478 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -124.57 150.07 46.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.4 mp0 -87.83 143.99 34.29 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.06 132.72 28.51 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.976 -2.51 . . . . 0.0 110.973 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.481 HG22 HG22 ' A' ' 95' ' ' VAL . 25.5 mt -85.65 111.83 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 70' ' ' ASN . 40.4 t -82.08 110.13 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.027 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.95 151.11 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.6 tt0 -135.14 141.78 46.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.659 HG13 HD11 ' A' ' 12' ' ' LEU . 30.7 m -126.46 165.47 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 8' ' ' LYS . 10.5 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -160.75 105.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -156.44 105.15 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.32 176.21 20.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.98 -61.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 0.727 . . . . 0.0 109.988 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -152.48 170.08 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.973 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.43 179.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.13 154.62 44.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.977 ' C ' HD13 ' A' ' 10' ' ' LEU . 84.1 p -117.85 125.98 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.977 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -119.4 156.94 29.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -108.82 141.2 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.431 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.509 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.7 135.73 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.1 117.12 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.615 HD23 ' HA2' ' A' ' 58' ' ' GLY . 33.5 mt -107.99 154.68 21.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -133.64 -179.97 5.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.585 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -123.35 108.14 12.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.05 -36.82 72.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.11 84.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 52.67 36.17 47.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -159.28 96.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -48.84 -35.43 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.95 31.4 4.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -172.71 179.32 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -133.8 157.99 44.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' A' ' 82' ' ' ALA . 1.4 pt -124.69 160.17 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.679 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.6 pt -132.1 164.72 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.21 -178.45 23.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.28 91.74 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.55 136.77 19.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 63.39 5.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -147.65 111.61 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 32' ' ' VAL . 14.1 m -107.59 64.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.88 143.96 54.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -43.71 146.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -65.42 124.67 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.588 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -168.78 -53.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.61 -138.56 5.74 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -43.64 120.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 110.025 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -136.83 170.47 16.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 m 63.01 153.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.049 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -115.38 168.01 10.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.427 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -144.26 153.74 25.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.501 HD11 ' O ' ' A' ' 77' ' ' ALA . 24.6 mm -113.29 119.78 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 42.8 m-85 -131.73 162.97 29.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.656 HG21 HD21 ' A' ' 60' ' ' LEU . 88.9 t -100.06 120.64 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.679 ' HB2' HG21 ' A' ' 26' ' ' ILE . 17.6 t -107.97 -18.77 13.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -142.76 157.56 44.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 55' ' ' ALA . 14.2 mt -153.21 121.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -76.27 118.3 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.6 -62.23 2.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -17.43 8.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.031 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.04 156.18 52.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.38 12.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.415 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -85.26 -34.63 21.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 48' ' ' ILE . . . -92.12 -28.79 16.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -64.78 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 58' ' ' GLY . 8.3 pt-20 -102.41 -20.56 14.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.615 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -33.53 -59.12 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.15 -12.75 63.67 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD21 HG21 ' A' ' 45' ' ' VAL . 4.4 tp -49.78 174.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.446 ' OE1' ' NH1' ' A' ' 99' ' ' ARG . 0.9 OUTLIER -152.64 118.76 5.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.596 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.7 mm -40.1 137.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.596 ' CD2' HG22 ' A' ' 62' ' ' ILE . 53.7 m-70 67.15 53.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.66 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -128.46 133.56 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.558 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.5 ttt180 -86.88 116.95 25.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.49 132.86 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.792 HG13 HD13 ' A' ' 98' ' ' LEU . 2.0 mm -99.88 -50.75 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -144.88 154.43 42.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.049 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.48 116.33 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 2.2 t-20 59.32 16.38 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.99 -1.24 56.41 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.91 126.1 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.601 ' O ' HD23 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -78.34 128.93 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 73' ' ' ASP . 6.4 mt -133.07 10.43 4.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.442 ' OG ' ' NH2' ' A' ' 65' ' ' ARG . 11.8 t -55.92 -40.57 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.048 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -112.89 21.47 15.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.501 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -93.62 175.47 6.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.3 t -113.1 168.13 9.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.541 ' O ' HG23 ' A' ' 83' ' ' VAL . 54.2 t-80 -49.66 -41.41 42.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -52.46 64.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.8 -51.74 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' A' ' 25' ' ' ILE . . . -50.63 -51.37 49.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 79' ' ' HIS . 40.2 t -56.39 -55.66 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.37 -44.36 72.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -55.28 -55.6 29.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.836 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.2 m-85 -64.46 -25.71 68.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -76.13 -50.38 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.6 p -79.54 -5.21 54.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.27 150.89 48.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 30.2 mmtt -119.9 151.06 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -89.55 141.61 28.82 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.03 144.67 81.66 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.004 0.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.503 HG22 HG22 ' A' ' 95' ' ' VAL . 23.6 mt -96.34 111.29 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -83.81 110.32 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.049 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.95 151.28 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -132.39 139.15 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.509 HG13 HD11 ' A' ' 12' ' ' LEU . 13.9 m -125.71 164.52 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.792 HD13 HG13 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -111.99 107.96 17.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.811 ' HB2' HD21 ' A' ' 10' ' ' LEU . 8.3 mtm180 -113.6 134.41 54.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -178.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.0 t -47.56 154.99 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -47.6 79.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -118.57 97.11 0.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 125.18 9.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 p 57.27 164.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.29 93.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -145.66 154.89 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.013 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.78 122.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.77 119.72 2.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -84.76 136.93 33.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.87 111.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.94 -121.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.62 ' O ' HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -148.33 149.13 31.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 p -127.02 115.99 20.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD12 ' NH1' ' A' ' 99' ' ' ARG . 6.8 mt -106.74 155.69 19.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -107.82 140.75 40.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -139.47 137.15 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 11.9 t -100.67 117.15 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.791 HD22 ' HA ' ' A' ' 54' ' ' ALA . 48.6 mt -110.13 154.53 23.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -122.1 -174.69 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HG3' HD11 ' A' ' 93' ' ' ILE . 2.3 mtm105 -126.44 89.9 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.32 74.09 9.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER 70.43 77.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' SER . . . 37.17 62.88 0.83 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.82 103.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.794 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.1 -32.54 71.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.59 28.69 5.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CE2' HG23 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -170.48 -178.53 2.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 0.757 . . . . 0.0 110.962 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -125.01 166.88 15.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.541 HG23 ' CE2' ' A' ' 23' ' ' PHE . 1.1 pt -135.3 150.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 46' ' ' SER . 1.1 pt -135.53 166.52 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.72 -46.21 1.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.66 144.42 30.3 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -165.54 156.35 12.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 75.47 3.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -151.82 139.13 19.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.631 ' O ' HG23 ' A' ' 32' ' ' VAL . 29.1 m -124.54 74.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.16 144.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -121.59 -54.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -172.67 -64.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.636 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -148.0 96.55 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.04 -95.77 0.22 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.58 160.27 41.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 t -56.53 144.94 29.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.8 p -115.78 -53.34 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 54.75 172.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.702 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -147.18 164.25 28.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.702 HD13 ' O ' ' A' ' 42' ' ' GLY . 26.4 mm -124.57 127.33 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 0.776 . . . . 0.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE1' ' HG3' ' A' ' 65' ' ' ARG . 28.7 m-85 -137.14 160.7 38.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.555 HG11 HD11 ' A' ' 48' ' ' ILE . 94.0 t -100.29 129.26 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.543 ' HB2' HG21 ' A' ' 26' ' ' ILE . 8.8 t -117.38 -38.46 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.52 135.56 55.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.555 HD11 HG11 ' A' ' 45' ' ' VAL . 14.4 mt -133.88 123.68 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.739 HG12 ' H ' ' A' ' 52' ' ' GLY . 86.7 t -78.15 124.84 37.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -60.05 -76.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -27.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.739 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -53.2 155.16 6.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.3 Cg_endo -75.02 -2.52 12.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.791 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -83.53 -39.57 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.531 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.14 -41.47 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -51.15 -83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 58' ' ' GLY . 43.1 mt-10 -101.73 -28.07 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.735 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -33.53 -55.51 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' LEU . . . 95.37 -12.16 68.18 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 45' ' ' VAL . 6.2 tp -47.16 172.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -155.18 122.98 5.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.668 ' CG2' ' CD2' ' A' ' 63' ' ' HIS . 1.8 mt -41.64 144.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.668 ' CD2' ' CG2' ' A' ' 62' ' ' ILE . 9.1 m170 63.16 53.3 2.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -128.52 130.19 47.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.551 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 48.3 ttt180 -88.48 113.43 24.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 mt -65.74 141.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.571 HD12 HD12 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -109.75 -47.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -145.4 152.3 39.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.001 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.26 116.73 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 4.6 t-20 57.7 18.07 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.65 -2.78 55.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.03 124.73 40.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.491 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -78.19 131.08 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.542 HD11 HG11 ' A' ' 69' ' ' VAL . 14.7 mt -128.54 5.49 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.365 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 t -51.59 -40.56 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.958 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.77 21.71 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.511 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -96.28 168.31 10.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -105.07 172.12 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.442 ' O ' HG23 ' A' ' 83' ' ' VAL . 58.4 t-80 -53.08 -44.13 67.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.94 -49.62 73.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -61.29 -56.59 18.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.19 -52.43 26.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 79' ' ' HIS . 26.0 t -52.22 -55.69 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.93 -46.93 84.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.548 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -54.65 -53.55 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 69' ' ' VAL . 21.2 m-85 -66.57 -25.6 66.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -76.35 -49.23 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.6 p -80.06 -9.62 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -61.85 147.55 46.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.3 mmmt -114.59 151.51 33.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -90.85 141.04 26.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.0 146.18 85.95 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.996 -0.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.447 HD11 ' HG3' ' A' ' 16' ' ' ARG . 18.4 mt -97.75 112.73 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' ASN . 45.5 t -83.55 110.54 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.001 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.07 151.05 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 5.0 tt0 -133.85 145.05 49.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 15.6 m -130.64 165.05 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 8' ' ' LYS . 11.9 mt -112.45 115.05 28.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.43 ' NH1' HD12 ' A' ' 10' ' ' LEU . 4.2 mtm180 -114.82 139.54 49.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.33 172.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.0 t -115.7 118.94 34.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.4 m -159.26 -49.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.014 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.72 -156.38 15.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 174.35 12.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.2 p -90.68 142.9 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.97 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t -97.62 90.1 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.6 92.24 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.89 154.88 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.79 175.6 46.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p 58.35 111.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 110.018 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -153.45 93.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.02 178.51 19.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' O ' HD23 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -99.98 148.16 24.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.669 ' C ' HD13 ' A' ' 10' ' ' LEU . 88.7 p -126.23 122.02 34.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.747 HD22 ' H ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.06 148.3 39.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -102.18 140.8 35.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.582 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -138.65 135.28 34.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.66 117.64 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.732 HD22 ' HA ' ' A' ' 54' ' ' ALA . 31.5 mt -110.19 155.28 22.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -126.62 -171.4 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' NH2' ' HA ' ' A' ' 87' ' ' LYS . 1.4 mtt180 -119.78 109.82 16.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.246 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.63 85.16 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.28 79.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.13 64.67 1.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.01 114.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.88 -27.17 67.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.8 29.35 6.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.32 -174.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.76 162.47 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.418 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.5 pt -127.71 159.83 37.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.524 HG21 ' CB ' ' A' ' 46' ' ' SER . 3.4 pt -126.22 163.97 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.15 -153.74 17.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.118 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.41 -128.0 27.01 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.59 163.9 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.82 38.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -151.77 -48.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t 66.75 -75.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.3 OUTLIER -41.15 150.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.7 t30 73.93 113.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -104.49 143.15 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.632 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.92 146.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.32 71.67 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 p -175.31 -69.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.39 163.66 13.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.47 -74.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -133.43 -174.61 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.36 136.28 10.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.6 mm -100.78 119.17 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 60.9 m-85 -137.59 158.06 45.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.652 HG21 HD21 ' A' ' 60' ' ' LEU . 93.7 t -99.35 121.89 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.524 ' CB ' HG21 ' A' ' 26' ' ' ILE . 46.6 t -116.2 -1.81 12.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' O ' ' CG1' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -151.38 155.07 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 8.0 mt -155.61 141.72 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 52' ' ' GLY . 99.0 t -93.52 127.26 45.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -68.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -14.91 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.647 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -63.82 156.41 43.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.4 Cg_endo -74.96 -2.02 11.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.732 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -83.55 -39.39 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.31 -51.33 5.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -41.54 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 58' ' ' GLY . 41.8 mt-10 -101.59 -30.72 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.341 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.732 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -32.29 -61.56 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.97 -12.43 60.7 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 45' ' ' VAL . 7.7 tp -50.26 172.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -163.24 125.75 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.652 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.6 mt -39.53 156.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.652 ' CD2' HG22 ' A' ' 62' ' ' ILE . 7.2 m170 57.82 49.19 12.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 7.0 m-20 -131.75 132.44 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 25.4 ttt180 -95.37 118.55 32.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.97 137.85 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.483 HD12 HD12 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -105.7 -48.03 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -145.53 152.18 39.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.006 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.36 115.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 3.3 t-20 58.64 16.88 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.8 5.84 54.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.04 128.22 48.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.833 ' O ' HD23 ' A' ' 74' ' ' LEU . 9.7 t70 -78.34 131.37 36.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.833 HD23 ' O ' ' A' ' 73' ' ' ASP . 9.4 mt -130.47 7.28 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.9 p -61.07 -38.83 87.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -112.43 18.94 18.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -96.66 174.63 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 t -111.03 174.74 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.581 ' O ' HG23 ' A' ' 83' ' ' VAL . 55.7 t-80 -57.07 -38.56 73.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -52.0 65.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.77 -47.91 73.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.68 -53.63 49.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 79' ' ' HIS . 45.2 t -54.97 -55.57 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 88' ' ' THR . 5.2 tt0 -50.91 -47.65 60.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -52.3 -53.01 49.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' A' ' 69' ' ' VAL . 23.2 m-85 -64.44 -25.84 68.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HA ' ' NH2' ' A' ' 16' ' ' ARG . 17.0 ttmm -76.73 -49.19 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.802 HG23 ' O ' ' A' ' 84' ' ' GLU . 14.1 p -79.81 -3.27 47.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.16 150.47 43.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.9 mmmt -120.99 150.63 40.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 3.6 mp0 -87.18 142.02 33.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.99 144.06 79.77 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -0.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.481 HG22 HG22 ' A' ' 95' ' ' VAL . 23.8 mt -97.22 112.32 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.1 t -83.5 110.62 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.006 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.82 150.86 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 9' ' ' SER . 2.3 tt0 -133.7 142.98 48.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.582 HG13 HD11 ' A' ' 12' ' ' LEU . 26.0 m -127.52 165.43 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.483 HD12 HD12 ' A' ' 67' ' ' ILE . 10.3 mt -113.93 119.9 38.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.636 ' HB2' HD21 ' A' ' 10' ' ' LEU . 13.1 mtt180 -124.8 138.23 54.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -172.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.3 t -95.73 126.48 41.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m 57.27 89.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.39 -166.98 3.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.58 42.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.67 -62.44 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.46 166.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 64.95 106.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -63.15 154.94 29.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.56 152.89 21.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.27 141.46 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -82.73 149.98 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.58 120.64 2.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' O ' HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -122.18 157.96 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.7 p -118.46 120.96 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' CD1' ' CZ ' ' A' ' 99' ' ' ARG . 3.1 mt -112.04 156.94 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.36 140.53 44.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.473 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.4 135.03 29.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.28 117.46 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.725 HD23 ' HA2' ' A' ' 58' ' ' GLY . 52.5 mt -108.29 153.98 22.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -125.81 171.21 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 mtm105 -114.16 113.56 24.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -105.04 74.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.96 77.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 37.89 61.58 1.12 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.448 1.093 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.36 98.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HG ' ' CD1' ' A' ' 86' ' ' PHE . 4.6 mm? -60.08 -32.94 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.07 30.58 4.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -173.46 -178.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 111.031 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.36 163.52 30.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.548 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.9 pt -128.19 160.76 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.487 HG21 ' CB ' ' A' ' 46' ' ' SER . 3.6 pt -126.33 165.15 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.48 -153.44 17.44 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 -98.98 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 65.48 137.2 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 72.08 4.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.8 p -154.96 163.86 39.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 p -176.85 -39.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 43.17 77.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -160.1 119.06 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -93.63 87.55 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -174.58 -60.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.13 99.05 0.8 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.82 166.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.761 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.3 p -156.96 139.33 14.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.69 121.33 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -139.08 176.63 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.61 124.16 4.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 77' ' ' ALA . 9.0 mm -92.64 130.58 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CE1' ' HG3' ' A' ' 65' ' ' ARG . 51.8 m-85 -145.57 154.67 42.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.673 HG21 HD21 ' A' ' 60' ' ' LEU . 95.7 t -95.31 115.98 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.487 ' CB ' HG21 ' A' ' 26' ' ' ILE . 38.6 t -112.51 -8.56 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -143.38 146.08 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.583 HD11 HG11 ' A' ' 45' ' ' VAL . 22.9 mt -151.3 126.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' H ' ' A' ' 52' ' ' GLY . 93.9 t -81.56 133.65 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.12 -80.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.87 -27.34 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.684 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -50.14 153.49 3.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.572 1.17 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -2.07 12.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -86.16 -40.97 15.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.582 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.25 -28.55 17.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -64.7 -82.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.4 mm-40 -101.45 -26.06 13.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.725 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -35.25 -59.67 0.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.92 4.47 60.2 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.673 HD21 HG21 ' A' ' 45' ' ' VAL . 8.2 tp -65.05 172.35 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -155.44 125.45 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.562 HG22 ' CD2' ' A' ' 63' ' ' HIS . 4.0 mt -45.38 152.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.562 ' CD2' HG22 ' A' ' 62' ' ' ILE . 39.8 m-70 62.36 45.89 6.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 30.5 m-20 -126.08 138.13 53.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.549 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 18.2 ttt180 -99.37 114.07 26.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.525 HD13 ' HZ ' ' A' ' 86' ' ' PHE . 4.7 mt -64.88 140.79 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.515 HD12 HD12 ' A' ' 98' ' ' LEU . 1.3 mm -108.31 -48.26 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -146.34 152.37 39.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.969 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.82 116.22 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 3.2 t-20 58.15 17.32 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.12 -0.85 56.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.04 126.55 38.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.15 124.23 29.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.5 HD11 ' CG1' ' A' ' 69' ' ' VAL . 10.9 mt -125.35 4.22 7.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 p -52.0 -39.28 59.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -112.5 21.6 15.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.486 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -96.94 166.79 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 79' ' ' HIS . 8.7 t -99.93 -174.37 2.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.548 ' CD2' HG13 ' A' ' 25' ' ' ILE . 39.2 t-80 -65.58 -43.24 90.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -48.98 79.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.402 ' H ' HG23 ' A' ' 78' ' ' THR . 37.7 mt-30 -62.76 -54.38 40.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.453 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -51.38 -54.57 25.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' HIS . 38.1 t -52.4 -55.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.518 ' O ' HG23 ' A' ' 88' ' ' THR . 3.7 tt0 -52.23 -46.02 65.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.45 -51.54 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.526 ' CE1' HG21 ' A' ' 69' ' ' VAL . 22.7 m-85 -67.62 -25.97 66.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -76.79 -38.85 53.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 84' ' ' GLU . 64.2 p -93.41 3.12 56.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -74.62 145.85 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.5 mmmt -110.8 152.92 26.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.2 OUTLIER -93.79 141.36 23.67 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -75.01 142.6 75.25 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.03 -2.487 . . . . 0.0 111.004 0.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 12.2 mt -93.79 113.35 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.0 t -84.94 111.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.969 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -116.2 151.14 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.5 tt0 -134.83 141.05 46.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.473 ' CG2' HD21 ' A' ' 12' ' ' LEU . 4.9 m -128.19 164.59 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 67' ' ' ILE . 11.1 mt -108.66 113.72 26.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -125.0 136.85 54.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.459 ' H ' ' NE ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -62.38 -59.81 4.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 100' ' ' ARG . 1.2 t 39.61 75.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -167.12 78.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.051 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 164.65 115.81 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 77.53 3.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.4 p -71.94 150.6 43.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 m -156.31 144.59 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.35 124.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.12 140.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.94 168.74 19.8 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.08 91.4 6.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.959 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 t -92.69 166.08 12.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.63 -116.51 9.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.742 ' O ' HD23 ' A' ' 98' ' ' LEU . 4.7 mptt -152.22 157.35 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.422 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 64.2 p -131.37 117.58 19.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.429 ' N ' HE21 ' A' ' 96' ' ' GLN . 4.9 mt -111.3 153.61 25.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -106.27 141.17 38.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -138.74 133.93 32.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -101.22 116.41 44.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' A' ' 54' ' ' ALA . 12.6 mt -109.08 154.66 21.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -129.31 -178.03 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.578 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -124.53 90.5 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.27 -51.03 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.6 p -165.24 82.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 51.22 41.9 48.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -161.12 110.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.967 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.78 -29.32 69.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.99 29.11 5.34 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.501 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -175.42 179.27 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.982 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -132.58 166.71 21.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 4.5 pt -133.14 162.82 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.536 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.1 pt -127.44 164.57 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.74 -167.41 14.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.09 -63.76 0.72 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.63 164.09 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -59.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.0 m 61.88 158.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.8 t -121.4 -64.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -88.12 162.93 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.93 -55.6 3.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.35 161.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -44.47 153.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.15 97.58 2.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.93 94.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 m 63.79 128.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' GLU . 2.1 m -167.22 122.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' SER . 4.4 pm0 41.89 -163.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.85 149.07 11.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.449 HD11 ' O ' ' A' ' 77' ' ' ALA . 12.5 mm -99.64 124.62 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CZ ' ' HD2' ' A' ' 65' ' ' ARG . 47.1 m-85 -140.67 160.71 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.414 HG21 HD21 ' A' ' 60' ' ' LEU . 90.4 t -101.47 123.32 54.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.536 ' HB2' HG21 ' A' ' 26' ' ' ILE . 30.3 t -119.0 -5.03 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -148.17 144.03 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 62' ' ' ILE . 16.1 mt -145.1 124.73 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.489 HG12 ' H ' ' A' ' 52' ' ' GLY . 61.5 t -79.79 123.07 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -66.08 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.48 -18.8 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.489 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -56.77 151.45 25.17 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.437 1.086 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.63 12.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.708 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -90.54 -31.46 16.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.63 -38.98 12.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 58' ' ' GLY . 4.2 mm-40 -102.19 -27.48 12.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.38 -65.32 0.23 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.438 1.087 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.58 -14.37 35.46 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.501 ' CD2' ' CD2' ' A' ' 23' ' ' PHE . 8.8 tp -46.22 170.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -161.9 126.27 3.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.615 HG22 ' CD2' ' A' ' 63' ' ' HIS . 2.8 mt -42.2 146.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.615 ' CD2' HG22 ' A' ' 62' ' ' ILE . 41.0 m-70 68.15 41.19 2.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 109.596 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -123.32 125.53 45.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.476 ' HD2' ' CZ ' ' A' ' 44' ' ' PHE . 37.9 ttt180 -86.76 120.33 27.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.414 HG23 HG12 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -71.88 135.27 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.556 HD12 HD12 ' A' ' 98' ' ' LEU . 2.5 mm -102.28 -52.14 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -144.06 153.46 42.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.0 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.53 116.37 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.485 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 1.2 t-20 56.16 22.09 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.29 -0.84 62.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 125.06 40.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.356 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.908 ' O ' HD23 ' A' ' 74' ' ' LEU . 39.1 t0 -77.46 136.73 38.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.908 HD23 ' O ' ' A' ' 73' ' ' ASP . 11.3 mt -137.73 13.94 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -64.55 -42.42 95.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.89 21.48 15.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -95.05 167.24 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 81' ' ' GLN . 10.0 t -99.73 166.01 11.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.504 ' O ' HG23 ' A' ' 83' ' ' VAL . 55.6 t-80 -50.45 -39.81 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.578 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -52.12 66.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.412 ' H ' HG23 ' A' ' 78' ' ' THR . 7.4 mt-30 -61.38 -48.13 82.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.44 -56.44 18.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 79' ' ' HIS . 47.3 t -52.07 -53.31 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.59 -48.47 63.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.61 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.82 -52.07 61.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.544 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.6 m-85 -67.66 -25.81 65.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 83' ' ' VAL . 11.1 ttmm -76.22 -45.39 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.7 p -86.26 -9.35 56.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -60.69 142.91 55.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.485 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -109.53 152.99 24.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.5 mp0 -91.84 139.92 24.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.97 151.03 96.4 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.045 -0.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 14.5 mt -102.32 110.65 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -83.78 111.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.0 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.04 151.81 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.118 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.429 HE21 ' N ' ' A' ' 10' ' ' LEU . 1.4 tt0 -133.36 138.44 46.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 11.3 m -126.24 165.36 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 8' ' ' LYS . 14.3 mt -111.52 117.16 32.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -117.95 136.81 53.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.528 ' H ' ' NE ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -39.01 149.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 102' ' ' SER . 9.2 t -53.17 -50.25 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.441 ' N ' HG23 ' A' ' 101' ' ' THR . 0.4 OUTLIER 75.84 113.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -142.82 -172.75 14.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 149.73 36.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.82 153.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.17 163.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.016 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -143.47 154.25 43.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.993 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 p -107.59 158.32 17.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.96 165.42 0.73 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.83 90.01 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m 62.29 81.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.958 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.67 173.69 7.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.33 178.69 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.808 ' C ' HD13 ' A' ' 10' ' ' LEU . 1.3 p -139.23 122.62 17.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.838 HD21 ' HB2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -111.94 157.06 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -106.33 140.24 39.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.835 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -139.99 135.07 32.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 35.4 t -99.08 116.87 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD12 HG21 ' A' ' 95' ' ' VAL . 31.9 mt -108.28 154.26 22.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -128.03 178.33 6.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.562 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.621 ' NE ' HD22 ' A' ' 21' ' ' LEU . 8.3 mtp180 -118.18 98.9 6.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.88 82.51 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.87 65.21 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.54 53.76 36.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -163.04 103.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.983 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.621 HD22 ' NE ' ' A' ' 16' ' ' ARG . 4.3 mm? -57.04 -32.1 65.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 108.86 21.65 7.36 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.72 -168.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -140.22 172.37 12.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.561 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.8 pt -135.89 165.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.61 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.0 pt -123.9 165.09 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.69 -178.43 2.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.07 -178.15 26.51 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -95.44 146.72 31.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.66 21.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 p -177.43 102.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 32' ' ' VAL . 11.5 p -137.91 67.18 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.23 93.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 p30 178.39 150.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 23.2 p-80 -57.56 115.91 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.63 168.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.22 -64.44 3.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.95 -78.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.968 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.24 150.81 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 t -171.28 156.08 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 61.72 156.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.62 147.13 16.63 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.42 HD11 ' O ' ' A' ' 77' ' ' ALA . 24.2 mm -105.67 134.53 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.454 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 72.7 m-85 -141.31 166.54 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.664 HG21 HD21 ' A' ' 60' ' ' LEU . 92.9 t -109.9 115.88 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.61 ' HB2' HG21 ' A' ' 26' ' ' ILE . 46.9 t -107.12 -4.74 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.71 153.74 34.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.587 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 14.4 mt -153.18 118.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.539 HG12 ' H ' ' A' ' 52' ' ' GLY . 55.2 t -69.52 120.94 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -62.06 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -11.96 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.539 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -67.75 156.2 52.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.8 11.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.545 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -84.94 -37.49 20.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.587 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.09 -40.34 11.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 58' ' ' GLY . 26.7 mm-40 -102.06 -27.58 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.14 -63.02 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.76 3.13 55.16 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.664 HD21 HG21 ' A' ' 45' ' ' VAL . 9.5 tp -67.71 167.53 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -151.91 128.68 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.539 HG22 ' CG ' ' A' ' 63' ' ' HIS . 4.4 mt -46.84 153.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.539 ' CG ' HG22 ' A' ' 62' ' ' ILE . 35.8 m-70 60.76 46.28 9.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.644 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 7.4 m-20 -124.8 139.79 53.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 6.6 ttt180 -98.18 116.58 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.35 136.75 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.841 HD11 ' HB2' ' A' ' 98' ' ' LEU . 1.7 mm -103.17 -50.0 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -144.54 153.16 41.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.027 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.3 117.52 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.48 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 3.8 t-20 58.39 17.0 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.07 -0.42 57.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.69 124.75 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -78.11 120.58 23.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.511 HD11 ' CG1' ' A' ' 69' ' ' VAL . 13.6 mt -120.29 -3.64 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.37 -35.99 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -112.82 22.61 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -102.59 170.42 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.415 ' CA ' HD11 ' A' ' 43' ' ' ILE . 5.5 t -109.07 168.04 9.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.561 ' CD2' HG13 ' A' ' 25' ' ' ILE . 46.2 t-80 -49.4 -45.03 45.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -52.1 63.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -64.16 -50.04 69.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -48.95 -52.52 24.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.7 t -52.55 -55.84 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.88 -41.61 74.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.92 -53.65 54.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.687 ' CE1' HG21 ' A' ' 69' ' ' VAL . 30.7 m-85 -67.59 -26.61 66.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -44.02 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.3 p -87.43 -0.13 56.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.59 148.38 48.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.48 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 2.5 mmmt -117.97 151.32 37.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -90.23 140.36 27.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 144.83 82.21 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 17.0 mt -96.59 111.4 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.9 t -83.58 110.9 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.027 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.42 150.87 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 4.5 tt0 -133.15 146.07 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.835 HG13 HD11 ' A' ' 12' ' ' LEU . 18.1 m -132.1 164.89 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.841 ' HB2' HD11 ' A' ' 67' ' ' ILE . 0.8 OUTLIER -113.49 106.61 14.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.838 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -99.26 139.82 34.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.72 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.7 p -70.19 128.23 35.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.67 123.01 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.46 146.85 17.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 138.33 22.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.69 115.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.03 -58.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 57.1 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m -144.26 140.66 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.55 179.54 16.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p -118.6 112.15 19.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.82 172.06 10.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.71 -179.1 10.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -116.21 175.51 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.938 ' C ' HD13 ' A' ' 10' ' ' LEU . 11.5 p -128.43 126.45 40.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.938 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -115.67 155.32 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -108.51 139.99 42.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.937 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.45 136.83 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.48 117.47 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.735 HD22 ' HA ' ' A' ' 54' ' ' ALA . 31.0 mt -110.96 155.61 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -124.87 170.98 10.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.538 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HG3' HD11 ' A' ' 93' ' ' ILE . 5.3 mtm105 -113.33 86.67 2.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.87 85.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.3 p 57.24 73.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.65 58.91 3.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -170.04 96.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.432 ' HG ' ' CD1' ' A' ' 86' ' ' PHE . 3.8 mm? -53.81 -34.08 58.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.78 39.4 3.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.443 ' CE2' HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -178.4 -179.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.987 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -122.71 166.69 14.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.527 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.9 pt -139.78 148.91 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.369 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.545 HG21 ' HB2' ' A' ' 46' ' ' SER . 0.9 OUTLIER -136.67 166.35 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.59 132.72 7.74 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.09 -49.44 0.34 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -44.19 134.5 4.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 171.61 17.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.3 m -55.5 171.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.2 t -41.1 -61.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.21 94.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 71.42 -65.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 45.21 82.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.82 115.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.24 51.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.91 173.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.76 . . . . 0.0 109.963 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -69.3 174.19 5.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -149.36 76.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -144.81 155.27 43.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.705 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -162.07 -178.05 35.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.705 HD13 ' O ' ' A' ' 42' ' ' GLY . 31.8 mm -128.45 125.54 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.61 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 60.2 m-85 -137.4 162.73 32.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.826 HG21 HD21 ' A' ' 60' ' ' LEU . 73.2 t -103.69 122.61 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.545 ' HB2' HG21 ' A' ' 26' ' ' ILE . 11.0 t -106.13 -40.24 5.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.81 144.72 48.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.628 HD11 HG11 ' A' ' 45' ' ' VAL . 28.0 mt -140.42 121.83 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.89 118.61 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 52' ' ' GLY . 11.1 m-20 -49.81 -83.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t -40.41 -29.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 50' ' ' ASP . . . -48.61 152.19 2.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.2 12.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.735 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -84.26 -38.48 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.613 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.74 -42.82 9.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -49.46 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 58' ' ' GLY . 12.0 pt-20 -101.93 -28.79 12.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.718 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -32.25 -50.86 0.38 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.68 4.83 75.53 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.858 HD11 ' OD2' ' A' ' 64' ' ' ASP . 7.1 tp -67.99 171.25 7.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -157.74 126.85 5.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.601 HG22 ' CD2' ' A' ' 63' ' ' HIS . 3.1 mt -40.9 147.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.601 ' CD2' HG22 ' A' ' 62' ' ' ILE . 38.6 m-70 65.54 55.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.858 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -115.6 169.69 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.61 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 17.1 ttt180 -132.34 83.54 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.568 HG23 HG12 ' A' ' 95' ' ' VAL . 1.9 mt -50.3 133.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -106.96 -40.69 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -148.93 149.18 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.23 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.972 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -138.99 116.51 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 61.69 14.83 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.94 5.25 56.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.46 125.12 43.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.34 121.07 23.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 82' ' ' ALA . 16.4 mt -123.14 2.28 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -50.23 -38.45 40.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -112.72 21.96 15.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.14 170.88 8.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.4 t -107.44 167.89 9.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.527 ' CD2' HG13 ' A' ' 25' ' ' ILE . 55.1 t-80 -51.0 -41.51 59.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.605 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -52.26 66.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -49.47 73.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.578 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.53 -52.36 30.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.443 ' CG2' HD11 ' A' ' 25' ' ' ILE . 26.0 t -54.61 -55.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 88' ' ' THR . 8.3 tt0 -50.58 -47.27 58.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -54.11 -56.83 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CE1' HG21 ' A' ' 69' ' ' VAL . 20.5 m-85 -60.65 -25.62 66.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -51.49 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.819 HG23 ' O ' ' A' ' 84' ' ' GLU . 14.8 p -79.26 -4.99 53.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -70.97 149.84 46.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -119.76 151.67 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 3.5 mp0 -88.68 144.0 32.73 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.98 138.5 56.44 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.043 -0.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.457 HG22 HG22 ' A' ' 95' ' ' VAL . 23.4 mt -91.04 111.88 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.5 t -84.19 110.98 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.972 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -114.97 151.05 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -133.08 139.05 46.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.937 HG13 HD11 ' A' ' 12' ' ' LEU . 11.4 m -128.6 165.23 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.7 ' HB2' HD11 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -112.78 109.48 18.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.919 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -102.15 124.95 48.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.35 134.6 38.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.96 119.66 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.377 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.9 t -171.51 121.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.93 126.32 2.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -175.33 2.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.476 1.777 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.7 p -122.66 140.12 53.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.8 m -118.09 143.12 46.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.14 117.15 24.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.52 99.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.75 57.88 0.71 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 p -46.43 154.99 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 0.796 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -53.28 102.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.959 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.39 -169.18 20.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 3.2 tptt -130.79 152.53 50.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.645 ' C ' HD12 ' A' ' 10' ' ' LEU . 32.9 p -109.76 117.83 34.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.645 HD12 ' C ' ' A' ' 9' ' ' SER . 1.4 mp -106.17 147.97 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -99.98 140.83 33.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.078 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -144.68 139.6 28.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG12 ' CE1' ' A' ' 15' ' ' HIS . 24.8 t -99.39 116.33 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 95' ' ' VAL . 74.9 mt -107.07 155.54 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.466 ' CE1' HG12 ' A' ' 13' ' ' VAL . 1.7 m-70 -135.75 167.21 21.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.589 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.804 ' HB3' HD22 ' A' ' 21' ' ' LEU . 16.0 ptt85 -133.35 110.82 10.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' SER . 22.3 t0 -88.7 80.54 7.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER 84.98 61.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.985 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.64 33.26 54.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -132.96 91.33 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.063 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 16' ' ' ARG . 4.4 mm? -58.88 -37.68 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 103.2 29.65 5.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CE1' ' HB3' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -171.11 -178.62 2.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 111.016 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.56 -174.2 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.53 ' CD1' ' CB ' ' A' ' 82' ' ' ALA . 3.1 pt -149.84 160.63 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.9 pt -129.34 166.18 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.96 -157.59 14.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.96 65.55 3.5 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.31 136.79 64.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' SER . 18.2 Cg_endo -75.03 56.56 4.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PRO . 3.3 m 39.04 76.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.7 p -44.82 -41.75 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER 171.53 100.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 1.6 m-20 162.51 127.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -85.25 -64.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.615 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 56.54 172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.17 -56.07 27.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 90.3 p -158.39 88.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 110.042 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.2 m -39.79 154.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.961 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.22 147.24 17.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -133.75 -173.99 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.75 160.79 22.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.515 HD11 ' O ' ' A' ' 77' ' ' ALA . 26.2 mm -111.82 128.18 68.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.523 ' CE2' ' HG3' ' A' ' 65' ' ' ARG . 79.1 m-85 -138.31 158.42 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.458 HG21 ' OD2' ' A' ' 64' ' ' ASP . 33.5 t -96.24 124.87 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB2' HG21 ' A' ' 26' ' ' ILE . 38.7 t -122.72 6.29 9.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.066 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.83 149.59 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 11.6 mt -153.54 118.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.634 HG12 ' H ' ' A' ' 52' ' ' GLY . 68.0 t -69.32 131.23 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.83 -75.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.36 -21.4 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.634 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -51.4 151.13 6.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -2.25 12.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -89.88 -33.4 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.58 -19.74 22.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -74.72 -82.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' GLY . 11.7 mm-40 -101.97 -19.26 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.507 ' CA ' HD23 ' A' ' 14' ' ' LEU . . . -35.7 -65.53 0.45 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.94 3.55 48.78 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.972 HD11 ' OD2' ' A' ' 64' ' ' ASP . 9.8 tp -71.35 171.42 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.463 ' CB ' ' NH2' ' A' ' 99' ' ' ARG . 0.9 OUTLIER -158.42 123.01 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.575 HG22 ' CD2' ' A' ' 63' ' ' HIS . 2.7 mt -38.37 152.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.575 ' CD2' HG22 ' A' ' 62' ' ' ILE . 25.4 m-70 65.06 44.73 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.972 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -115.2 143.01 45.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.523 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 9.3 ttt180 -105.51 91.5 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mt -50.44 140.58 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.822 HG13 HD13 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -114.1 -44.06 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.97 152.6 37.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.996 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.93 117.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 1.8 t-20 55.35 19.79 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.16 -3.35 56.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.84 126.91 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.46 ' O ' HD23 ' A' ' 74' ' ' LEU . 25.6 t70 -80.72 129.47 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.462 HD11 HG11 ' A' ' 69' ' ' VAL . 16.0 mt -125.07 2.7 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 t -54.55 -36.82 64.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -112.75 20.8 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -99.9 171.29 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.402 ' CA ' HD11 ' A' ' 43' ' ' ILE . 1.7 p -107.21 -177.25 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.443 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.519 ' CD2' HG13 ' A' ' 25' ' ' ILE . 57.8 t-80 -62.6 -42.79 99.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -52.08 66.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -61.35 -48.38 81.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -52.09 -57.3 9.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.6 t -51.84 -54.4 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.786 ' O ' HG23 ' A' ' 88' ' ' THR . 4.9 tt0 -50.44 -46.34 56.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -55.06 -57.24 12.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.745 ' CE1' HG21 ' A' ' 69' ' ' VAL . 47.6 m-85 -64.27 -25.53 68.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 83' ' ' VAL . 29.5 ttpt -74.14 -49.14 25.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 84' ' ' GLU . 18.5 p -84.04 -7.48 59.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -65.98 150.23 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.441 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.4 mmmt -117.59 152.29 35.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.4 mp0 -91.0 143.39 28.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 141.61 72.29 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.998 -0.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 22.5 mt -93.18 111.86 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' ASN . 61.4 t -82.99 110.41 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.996 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -115.71 150.48 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -128.7 136.14 50.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 1.078 HG13 HD11 ' A' ' 12' ' ' LEU . 5.0 m -124.65 165.16 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.822 HD13 HG13 ' A' ' 67' ' ' ILE . 0.6 OUTLIER -109.36 108.34 18.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.463 ' NH2' ' CB ' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -117.9 136.58 53.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -40.69 -28.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 99' ' ' ARG . 3.1 t -174.66 -48.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.1 p -171.51 -174.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.72 99.2 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.04 37.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.0 t -120.82 -59.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.5 p -43.23 153.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.045 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.94 97.95 6.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -129.67 155.92 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.77 -66.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 m 51.54 85.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.04 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -163.34 -179.86 6.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 100' ' ' ARG . . . -67.31 -104.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -169.02 156.32 7.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.891 ' C ' HD13 ' A' ' 10' ' ' LEU . 13.4 p -103.73 125.65 50.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.891 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -120.35 145.69 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -102.91 140.52 37.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -141.32 137.23 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.87 116.56 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 95' ' ' VAL . 32.8 mt -107.83 154.06 22.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' O ' HD13 ' A' ' 21' ' ' LEU . 81.4 m-70 -121.33 163.4 18.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.598 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.509 ' HG2' HD22 ' A' ' 21' ' ' LEU . 2.7 mtp180 -113.26 112.81 24.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 18' ' ' SER . 11.1 t0 -101.79 57.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 1.4 t 85.03 64.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.18 60.65 3.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -138.03 -46.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.994 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.509 HD22 ' HG2' ' A' ' 16' ' ' ARG . 3.8 mm? 70.41 -51.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' SER . . . 105.88 43.23 1.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -179.19 177.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.08 161.71 36.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.456 HD12 ' CB ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -124.77 157.58 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.97 166.76 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 -171.44 20.65 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 65.72 1.58 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.12 145.13 31.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -62.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER 49.25 81.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t 68.64 -67.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -56.73 114.22 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -76.55 170.96 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.364 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -72.82 104.45 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.614 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -149.11 -61.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.368 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.91 -130.12 1.1 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 p 59.47 165.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.7 m -131.36 144.05 50.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t 170.93 -33.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.2 150.14 14.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.66 134.14 7.64 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.8 mm -101.94 129.88 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 49.3 m-85 -143.81 154.45 43.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.568 HG21 HD21 ' A' ' 60' ' ' LEU . 95.0 t -96.01 116.21 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.9 t -114.02 -8.42 13.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -140.43 146.64 38.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.503 HD11 HG11 ' A' ' 45' ' ' VAL . 12.5 mt -153.63 116.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.578 HG12 ' H ' ' A' ' 52' ' ' GLY . 94.2 t -72.02 117.02 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -53.59 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -13.98 30.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.578 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -61.69 153.67 40.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -89.22 -31.84 17.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.439 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -92.0 -30.99 15.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -61.92 -83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' GLY . 67.3 mt-10 -101.77 -24.83 14.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -32.01 -63.64 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.977 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.87 2.31 52.28 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.568 HD21 HG21 ' A' ' 45' ' ' VAL . 6.3 tp -66.2 173.32 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -159.98 123.68 3.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.522 HG22 ' CG ' ' A' ' 63' ' ' HIS . 2.4 mt -40.97 155.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 62' ' ' ILE . 11.8 m-70 57.2 49.62 13.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 29.6 m-20 -128.39 122.78 32.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 25.3 ttt180 -85.72 106.78 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.436 HG23 HG12 ' A' ' 95' ' ' VAL . 1.5 mt -62.01 143.86 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.809 HG13 HD13 ' A' ' 98' ' ' LEU . 1.1 mm -110.66 -49.17 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -142.94 152.68 42.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.014 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -141.18 115.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.452 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 4.6 t-20 60.32 15.62 5.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.65 -2.98 53.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.49 124.76 38.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 0.736 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.555 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -77.59 128.1 33.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.576 HD11 ' CG1' ' A' ' 69' ' ' VAL . 8.1 mt -124.32 2.29 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 t -54.69 -39.33 68.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -111.92 21.45 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.62 179.78 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 p -116.1 176.83 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.685 ' O ' HG23 ' A' ' 83' ' ' VAL . 60.2 t-80 -60.22 -33.6 72.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.7 -52.07 54.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -66.45 -50.47 63.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.463 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -51.41 -50.08 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 79' ' ' HIS . 37.8 t -57.06 -55.85 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 88' ' ' THR . 10.8 tt0 -53.11 -39.09 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.622 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -59.04 -55.98 28.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.594 ' CE1' HG21 ' A' ' 69' ' ' VAL . 26.5 m-85 -65.34 -25.69 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -77.31 -47.07 20.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 84' ' ' GLU . 69.1 p -85.81 -3.0 58.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.33 148.15 52.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.452 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 3.8 mmmt -116.14 152.75 33.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.529 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 12.2 mt-10 -91.15 141.47 26.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.05 145.02 82.72 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.976 0.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.422 HG22 HG22 ' A' ' 95' ' ' VAL . 19.2 mt -96.68 111.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -83.61 111.13 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.014 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.74 150.72 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 6.2 tt0 -135.82 147.26 48.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.586 HG23 HD23 ' A' ' 10' ' ' LEU . 15.5 m -135.84 164.73 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.809 HD13 HG13 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -110.11 105.73 14.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.369 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.742 ' HB2' HD21 ' A' ' 10' ' ' LEU . 16.4 mtt180 -100.18 140.71 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.48 ' HB2' ' CA ' ' A' ' 7' ' ' GLY . 4.5 mmt180 76.3 174.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.423 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.6 t -165.47 70.07 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER 80.01 110.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.035 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.25 155.95 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -178.16 3.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.72 96.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 m -101.12 157.01 17.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.29 107.14 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.65 131.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.03 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.6 135.47 5.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -171.67 -60.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.746 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.11 165.67 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.38 -152.71 13.12 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.16 149.58 40.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.449 ' HA ' HD12 ' A' ' 98' ' ' LEU . 94.3 p -107.93 128.92 55.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD11 ' CG ' ' A' ' 99' ' ' ARG . 0.4 OUTLIER -126.53 157.37 38.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.75 140.93 43.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.493 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -138.84 136.69 35.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -98.71 116.99 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD12 ' HE1' ' A' ' 86' ' ' PHE . 58.9 mt -103.88 154.51 19.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.403 ' O ' HD13 ' A' ' 21' ' ' LEU . 84.3 m-70 -133.87 166.78 21.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -113.62 93.3 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 18' ' ' SER . 2.5 t0 -85.91 78.35 9.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER 79.76 53.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.035 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.38 54.39 20.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -162.46 89.96 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 0.806 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 21' ' ' LEU . 3.4 mm? -47.67 -40.37 19.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.567 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 101.32 44.57 1.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.7 p90 -178.84 177.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -141.6 165.28 27.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.573 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.5 pt -126.39 162.64 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.607 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.4 pt -133.16 161.48 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.1 84.78 1.36 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.14 121.62 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 148.67 69.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.21 8.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 m -70.56 167.63 18.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -104.89 -26.33 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 179.44 -78.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -167.3 -45.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.17 116.65 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.75 148.54 24.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.33 95.31 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 m 62.45 127.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.754 . . . . 0.0 109.998 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.1 p -170.65 130.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.5 m -145.66 112.21 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -110.51 157.71 19.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.82 136.26 6.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.441 HD11 ' O ' ' A' ' 77' ' ' ALA . 19.5 mm -101.83 118.82 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 56.1 m-85 -133.84 153.24 51.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.478 ' CG1' HG13 ' A' ' 48' ' ' ILE . 77.5 t -90.07 124.31 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.607 ' HB2' HG21 ' A' ' 26' ' ' ILE . 36.0 t -113.38 -20.74 11.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -134.49 152.88 52.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.478 HG13 ' CG1' ' A' ' 45' ' ' VAL . 3.5 mt -156.86 111.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 2.4 m -67.88 149.92 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -78.09 -79.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -34.15 -52.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.531 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -33.38 150.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.0 -11.75 21.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.448 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -73.15 -28.89 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -94.19 -38.06 11.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -56.58 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 58' ' ' GLY . 10.9 mt-10 -100.86 -24.43 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -29.79 -57.33 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.85 -12.53 67.18 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 60' ' ' LEU . 6.7 tp -53.74 168.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -165.69 126.71 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.73 HG22 ' CD2' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -41.09 148.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.73 ' CD2' HG22 ' A' ' 62' ' ' ILE . 2.0 m80 68.9 35.4 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' OD1' ' NH2' ' A' ' 99' ' ' ARG . 33.5 m-20 -117.73 119.46 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 42.3 ttt180 -85.66 107.76 17.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.479 HG23 HG12 ' A' ' 95' ' ' VAL . 1.1 mt -63.42 139.27 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.782 HG13 HD13 ' A' ' 98' ' ' LEU . 1.1 mm -106.29 -46.04 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -147.78 151.64 36.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.981 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.6 118.04 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.533 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 6.7 t-20 57.64 17.36 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.21 -4.28 55.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.46 127.59 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.972 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -78.99 137.82 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.972 HD23 ' O ' ' A' ' 73' ' ' ASP . 6.5 mt -143.89 24.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 p -68.36 -44.98 74.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -112.42 9.42 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -75.47 173.34 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 p -101.34 156.66 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.645 ' O ' HG23 ' A' ' 83' ' ' VAL . 36.0 t-80 -49.29 -26.07 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -46.32 50.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -65.3 -54.89 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.715 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.81 -51.95 35.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 79' ' ' HIS . 25.5 t -53.42 -55.7 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -53.27 -44.53 68.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -54.09 -54.2 42.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.856 ' CE1' HG21 ' A' ' 69' ' ' VAL . 31.7 m-85 -64.58 -26.97 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -45.58 39.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 74.7 p -87.71 0.61 55.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.7 150.43 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.533 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 4.5 mmmt -121.16 153.67 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 14.3 mt-10 -89.52 142.66 29.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.1 Cg_endo -75.01 140.93 70.07 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.997 0.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.52 HG22 HG22 ' A' ' 95' ' ' VAL . 28.3 mt -93.21 111.05 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 70' ' ' ASN . 44.4 t -83.62 109.97 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.981 HG13 HG23 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -115.97 150.82 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.8 tt0 -134.56 141.02 46.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.493 ' CG2' HD21 ' A' ' 12' ' ' LEU . 12.5 m -131.12 165.15 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.782 HD13 HG13 ' A' ' 67' ' ' ILE . 1.7 mp -117.86 105.58 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.592 ' CG ' HD11 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -137.62 140.68 41.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 163.16 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.0 t -73.75 -42.25 61.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -71.45 139.03 49.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -159.46 118.28 0.82 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 175.6 11.03 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.6 p -138.97 169.87 17.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.08 97.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -116.56 -50.09 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.96 122.09 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.73 157.7 23.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -81.78 121.72 26.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -143.14 144.47 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.78 107.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.27 153.41 33.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.515 ' C ' HD12 ' A' ' 10' ' ' LEU . 2.7 p -113.68 115.05 27.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -102.79 146.27 28.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.04 141.06 32.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -141.54 136.59 31.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 41.3 t -99.34 116.98 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' A' ' 54' ' ' ALA . 29.4 mt -107.81 154.6 21.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -121.83 -175.58 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.547 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -130.11 88.95 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.73 73.6 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.05 78.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 38.78 60.18 1.54 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.26 105.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.74 -31.81 73.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.85 33.74 5.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -176.29 -179.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 111.02 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.405 ' N ' ' HE2' ' A' ' 47' ' ' LYS . 1.2 t-20 -135.76 162.86 31.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.566 HG13 ' CD2' ' A' ' 79' ' ' HIS . 4.8 pt -129.68 163.06 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.465 HG21 ' HB2' ' A' ' 46' ' ' SER . 1.6 pt -132.51 166.05 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.7 -177.5 24.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.52 121.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.52 134.35 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 102.56 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -171.65 -60.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.9 t -64.3 78.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' SER . 28.1 t70 -178.57 145.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -174.42 85.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -172.89 -66.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.625 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 179.91 92.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.25 -159.43 49.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 61.0 m 57.8 -178.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 0.77 . . . . 0.0 110.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t 172.0 138.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.2 109.18 20.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -146.79 174.34 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.468 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -167.34 167.3 39.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 77' ' ' ALA . 17.1 mm -110.55 129.31 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 89.7 m-85 -143.59 151.71 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.652 HG21 HD21 ' A' ' 60' ' ' LEU . 89.2 t -95.67 124.73 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.465 ' HB2' HG21 ' A' ' 26' ' ' ILE . 11.2 t -117.52 -7.17 11.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 109.941 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 23' ' ' PHE . 7.1 ttpt -148.92 145.33 27.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.693 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 36.2 mt -147.94 121.38 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 52' ' ' GLY . 40.5 t -69.55 119.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.18 -72.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -18.61 11.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -55.97 153.97 15.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' GLY . 18.3 Cg_endo -74.98 -2.46 12.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.631 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -82.92 -41.37 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.693 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -90.75 -37.07 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -55.13 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' GLY . 46.6 mt-10 -101.26 -29.64 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.616 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -35.67 -60.11 0.82 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.59 -9.52 58.85 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 45' ' ' VAL . 10.0 tp -55.36 166.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -156.31 129.89 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.631 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.6 mt -43.35 156.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.631 ' CD2' HG22 ' A' ' 62' ' ' ILE . 10.1 m170 60.42 45.56 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 17.6 m-20 -128.12 133.45 48.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 22.5 ttt180 -98.2 110.9 23.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.506 HG23 HG12 ' A' ' 95' ' ' VAL . 1.3 mt -63.55 140.88 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.757 ' CD1' HD13 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -107.42 -44.16 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -151.4 153.21 34.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.942 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.43 113.58 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.644 ' HA ' HG12 ' A' ' 94' ' ' VAL . 3.0 t-20 72.69 -47.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 69' ' ' VAL . . . 160.09 23.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.601 ' HB3' HD21 ' A' ' 74' ' ' LEU . 1.1 mtt180 -115.86 134.41 55.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.975 ' O ' HD23 ' A' ' 74' ' ' LEU . 16.3 t0 -71.17 121.17 17.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.975 HD23 ' O ' ' A' ' 73' ' ' ASP . 6.4 mt -133.25 15.53 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.431 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 3.0 t -65.76 -46.93 76.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -113.26 21.36 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.615 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -84.89 169.47 14.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -100.23 170.45 8.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.566 ' CD2' HG13 ' A' ' 25' ' ' ILE . 48.1 t-80 -55.1 -36.46 65.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -49.5 72.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.24 -50.69 67.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -53.2 -56.19 18.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 79' ' ' HIS . 50.2 t -52.89 -54.66 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 88' ' ' THR . 1.3 tp10 -50.27 -48.78 54.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.23 -54.15 40.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.635 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.2 m-85 -64.96 -25.62 67.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -76.84 -38.99 52.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 84' ' ' GLU . 19.0 p -99.25 7.58 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.368 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.61 140.07 47.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.48 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 30.3 mmtt -104.09 152.83 21.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 14.7 mt-10 -95.56 140.81 22.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.99 146.27 86.2 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.03 -2.487 . . . . 0.0 111.021 -0.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 9.4 mt -95.99 111.94 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 70' ' ' ASN . 3.8 p -83.54 108.47 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.942 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -112.8 149.16 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -134.91 145.09 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 60' ' ' LEU . 26.9 m -135.01 162.87 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.7 OUTLIER -107.18 100.93 10.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -103.41 118.35 36.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.48 169.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -100.76 151.23 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.46 143.5 18.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.04 152.9 17.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 117.85 5.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 90.6 p -79.66 155.81 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.7 p -143.53 -61.73 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.036 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -130.91 150.4 52.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.755 . . . . 0.0 109.988 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -52.96 125.82 18.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.92 -94.87 2.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 6' ' ' SER . 14.5 m -149.09 141.62 24.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 165.37 144.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.926 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.47 155.94 9.91 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.487 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.2 mptt -136.12 152.1 50.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.427 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 65.9 p -106.28 132.08 52.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.684 ' N ' HE21 ' A' ' 96' ' ' GLN . 5.4 mt -124.82 157.44 35.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -108.82 140.7 41.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.8 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.8 138.64 39.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 92' ' ' PRO . 0.3 OUTLIER -99.75 117.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD12 HG21 ' A' ' 95' ' ' VAL . 73.9 mt -105.61 154.65 20.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.708 ' O ' HD13 ' A' ' 21' ' ' LEU . 48.1 m-70 -129.34 177.62 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 2.2 mtm105 -123.91 79.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 18' ' ' SER . 6.3 t70 -72.63 67.83 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER 84.62 63.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 40.67 57.34 2.82 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.02 86.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 15' ' ' HIS . 3.1 mm? -47.79 -41.24 23.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.596 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 102.44 43.68 1.96 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.8 p90 -176.35 173.2 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -130.01 167.37 18.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 83' ' ' VAL . 1.3 pt -128.8 158.79 41.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.505 HG21 ' HB2' ' A' ' 46' ' ' SER . 1.3 pt -139.66 158.38 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 29' ' ' ARG . . . 121.47 -131.66 8.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.94 -90.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER 70.08 153.25 0.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.33 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.03 22.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.06 80.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.7 m -118.45 72.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -122.91 122.03 37.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -122.66 94.65 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.84 -62.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -151.33 115.71 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.77 -166.78 30.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.91 113.22 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.4 p -89.51 156.52 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.18 123.5 4.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 pm0 -142.08 157.16 45.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.42 151.17 23.41 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.0 mm -100.52 126.96 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.537 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 72.4 m-85 -138.95 166.82 23.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' HIS . 90.0 t -107.09 130.86 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.505 ' HB2' HG21 ' A' ' 26' ' ' ILE . 12.6 t -120.47 -38.37 2.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.03 147.35 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.46 HD11 ' HG ' ' A' ' 60' ' ' LEU . 3.0 mt -154.2 102.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.596 HG22 ' CA ' ' A' ' 22' ' ' GLY . 2.3 m -66.81 149.15 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.548 ' O ' ' C ' ' A' ' 51' ' ' SER . 31.1 m-20 -76.08 -88.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 50' ' ' ASP . 2.2 m -26.51 -48.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.494 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -36.76 150.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.5 Cg_endo -74.96 -8.24 19.94 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -77.17 -33.13 56.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -93.41 -36.74 12.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -57.31 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 58' ' ' GLY . 40.0 mt-10 -100.97 -25.22 14.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -30.96 -57.39 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.22 -10.72 67.55 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.491 ' CD1' HG11 ' A' ' 97' ' ' VAL . 6.2 tp -52.57 165.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.34 126.9 8.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.583 HG22 ' CD2' ' A' ' 63' ' ' HIS . 2.0 mt -42.84 147.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.583 ' CD2' HG22 ' A' ' 62' ' ' ILE . 27.8 m-70 61.61 50.7 4.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 44' ' ' PHE . 13.8 m-20 -123.5 134.59 53.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.537 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 17.0 ttt180 -92.99 108.37 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.91 136.49 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.551 ' CD1' HD12 ' A' ' 98' ' ' LEU . 3.5 mm -103.2 -52.1 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -143.65 155.15 44.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.082 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.4 116.44 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.522 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 4.2 t-20 55.6 19.83 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.65 -0.67 58.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 124.63 35.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.427 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -75.8 120.71 21.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.552 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 16.8 mt -116.2 -7.02 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.3 t -53.8 -36.55 62.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -112.8 21.56 15.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -104.56 174.4 5.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 p -111.51 173.21 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.549 ' CD2' HG13 ' A' ' 25' ' ' ILE . 37.6 t-80 -55.5 -39.75 70.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.623 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -52.09 66.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.62 -49.02 74.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 1.065 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.432 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -50.15 -51.73 41.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 25' ' ' ILE . 12.7 t -55.21 -56.23 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -51.34 -42.86 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.51 -56.41 21.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 69' ' ' VAL . 40.3 m-85 -64.62 -25.45 67.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -42.7 38.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.5 p -90.11 -2.65 58.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -70.33 148.12 48.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.522 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 24.6 mmtt -115.32 151.9 33.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.3 mp0 -90.64 141.99 27.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.92 143.66 78.52 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.006 -0.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.466 HG22 HG22 ' A' ' 95' ' ' VAL . 18.9 mt -95.15 111.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.69 110.06 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.082 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.27 151.5 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.684 HE21 ' N ' ' A' ' 10' ' ' LEU . 1.1 tt0 -130.05 132.04 46.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.8 ' CG2' HD21 ' A' ' 12' ' ' LEU . 15.6 m -124.39 165.38 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.551 HD12 ' CD1' ' A' ' 67' ' ' ILE . 18.9 mt -112.99 117.42 31.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.524 ' CG ' HD12 ' A' ' 10' ' ' LEU . 1.7 mmt-85 -98.41 105.39 17.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.27 147.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.3 t -39.44 132.8 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.8 p -74.26 166.81 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.7 -171.56 42.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.096 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.14 136.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.028 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -119.73 160.43 22.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -170.56 113.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -64.33 152.73 40.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.56 146.01 17.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 45.71 79.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.28 86.68 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.7 -148.17 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -137.56 150.18 47.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -120.96 118.9 31.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mt -110.46 151.16 27.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -101.55 141.11 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.019 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.45 137.81 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -99.04 117.03 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.698 HD23 ' HA2' ' A' ' 58' ' ' GLY . 46.8 mt -109.04 155.68 20.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -130.43 139.98 50.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.496 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 4.1 ppt_? -98.04 98.62 9.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -81.48 106.96 13.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.7 t 52.12 47.63 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.77 43.58 74.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.9 t -149.88 106.88 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 16' ' ' ARG . 1.4 mm? -70.37 -30.61 67.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 102.68 29.22 5.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.4 ' HZ ' ' CZ ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -170.1 -169.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.16 163.17 37.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.494 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.3 pt -130.09 162.8 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.519 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.8 pt -126.8 166.38 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.57 -165.31 13.34 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' CA ' ' OG1' ' A' ' 78' ' ' THR . . . 84.01 -47.72 3.9 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -94.46 160.85 30.82 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 110.233 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 98.13 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.787 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.4 t -141.22 -63.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.956 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 32' ' ' VAL . 35.2 m -134.1 63.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.78 -62.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 63.36 161.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -82.19 103.98 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -148.65 136.06 20.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 44.73 -154.75 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.43 71.21 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 t -130.13 -47.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.7 -78.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -118.69 148.15 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.511 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -125.22 149.83 17.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.527 HD11 ' O ' ' A' ' 77' ' ' ALA . 16.4 mm -111.88 128.54 68.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 82.2 m-85 -141.74 154.92 45.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.404 HG21 ' OD2' ' A' ' 64' ' ' ASP . 45.8 t -90.54 127.5 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB2' HG21 ' A' ' 26' ' ' ILE . 47.2 t -123.11 3.78 9.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.952 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.41 148.82 18.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.476 HD12 ' N ' ' A' ' 62' ' ' ILE . 12.9 mt -152.51 117.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' GLY . 22.5 t -71.13 119.54 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -48.17 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -21.83 12.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.1 147.02 1.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.615 ' HA ' ' CG ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -75.05 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.604 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -91.83 -19.61 22.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . -94.72 -60.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.615 ' CG ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -40.28 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.7 mt-10 -90.98 -43.93 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.698 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -20.75 -55.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . 89.06 4.15 75.19 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.004 HD11 ' OD2' ' A' ' 64' ' ' ASP . 10.2 tp -69.55 170.53 10.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -162.37 126.37 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.672 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.1 mt -38.91 150.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.672 ' CD2' HG22 ' A' ' 62' ' ' ILE . 9.2 m170 68.73 45.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.619 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 1.004 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -117.34 142.17 47.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 7.0 ttt180 -107.46 89.4 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.447 HG23 HG12 ' A' ' 95' ' ' VAL . 1.6 mt -50.17 135.91 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.679 ' CD1' HD13 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -108.07 -42.49 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.87 152.71 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.015 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.91 116.02 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 2.4 t-20 58.15 17.7 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.97 -1.61 55.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.22 129.65 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.671 ' O ' HD23 ' A' ' 74' ' ' LEU . 8.6 t0 -81.26 129.29 34.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 73' ' ' ASP . 14.0 mt -131.68 11.9 4.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.5 p -58.44 -42.73 88.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -112.32 21.48 15.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.527 ' O ' HD11 ' A' ' 43' ' ' ILE . . . -93.27 171.68 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.404 ' OG1' ' CA ' ' A' ' 28' ' ' GLY . 10.1 t -107.19 166.54 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.42 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.537 ' O ' HG23 ' A' ' 83' ' ' VAL . 21.7 t-80 -51.25 -38.65 53.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -51.63 67.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -65.32 -47.64 75.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.499 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -55.41 -56.84 15.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 79' ' ' HIS . 45.3 t -51.84 -51.45 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.8 -45.51 74.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.26 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.548 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.58 -53.64 48.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.505 ' CE1' HG21 ' A' ' 69' ' ' VAL . 35.1 m-85 -64.73 -25.59 68.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -77.91 -43.94 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.0 p -87.02 -5.42 59.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -71.67 147.77 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -114.87 152.67 31.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.1 mt-10 -89.81 142.9 29.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.97 145.1 83.0 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -0.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.414 HG22 HG22 ' A' ' 95' ' ' VAL . 21.5 mt -97.85 111.9 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.4 t -83.56 110.33 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.015 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -115.49 151.01 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 3.0 tt0 -129.87 141.9 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 1.019 HG13 HD11 ' A' ' 12' ' ' LEU . 5.3 m -130.03 164.84 31.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.679 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -109.28 108.5 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.531 ' CZ ' HG21 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -106.18 132.49 52.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.35 -46.52 13.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 102' ' ' SER . 2.1 t -175.19 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.424 ' N ' HG23 ' A' ' 101' ' ' THR . 9.1 m -146.49 175.34 10.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.83 123.22 0.88 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 171.54 18.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.1 t -146.19 146.4 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.3 -75.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.01 -59.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 110.047 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -83.43 130.08 35.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.15 153.29 24.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 m -155.81 162.8 40.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.91 -67.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.89 -154.09 6.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.38 156.92 36.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.675 ' C ' HD13 ' A' ' 10' ' ' LEU . 28.6 p -115.64 124.71 51.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.675 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -112.82 157.01 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -108.61 140.31 42.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.566 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.54 134.6 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 56.9 t -98.69 116.4 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 ' HA ' ' A' ' 54' ' ' ALA . 39.2 mt -108.78 154.76 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.589 ' O ' HD13 ' A' ' 21' ' ' LEU . 66.6 m-70 -129.35 166.44 19.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HG2' ' CD2' ' A' ' 21' ' ' LEU . 5.7 mtm105 -111.24 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.8 t70 -65.67 -11.65 46.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER 157.3 68.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.4 61.61 2.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.449 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -146.38 -44.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.737 . . . . 0.0 110.056 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.74 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 4.3 mm? 69.19 1.19 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.41 40.23 85.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.123 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -177.49 -175.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 111.042 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.79 -172.96 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.543 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.1 pt -150.93 157.74 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.419 ' CG2' ' HB3' ' A' ' 46' ' ' SER . 3.9 pt -127.17 166.25 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.66 145.1 14.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.39 160.15 8.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -123.53 131.2 24.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.455 ' O ' HG13 ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.01 62.65 5.91 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.1 m -57.08 140.87 47.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.941 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 32' ' ' VAL . 26.0 m -135.04 76.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.87 116.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 176.09 119.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -125.78 73.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.557 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 176.67 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.59 142.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.4 p -172.65 150.45 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -69.01 168.75 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 m -130.47 113.36 14.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -92.6 176.17 6.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -122.7 163.67 16.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 42' ' ' GLY . 16.5 mm -111.44 128.27 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 68.5 m-85 -145.21 149.73 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.941 HG21 HD21 ' A' ' 60' ' ' LEU . 99.5 t -89.92 122.88 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.419 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 43.9 t -118.17 3.83 12.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -154.66 148.05 25.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.538 ' CG2' ' HB2' ' A' ' 55' ' ' ALA . 26.2 mt -154.07 125.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.466 HG12 ' H ' ' A' ' 52' ' ' GLY . 58.8 t -80.05 120.49 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.083 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -45.64 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -22.28 4.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.466 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -45.14 151.68 0.82 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -2.25 12.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -89.76 -33.89 16.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.87 -38.1 12.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 58' ' ' GLY . 42.3 mm-40 -101.78 -27.59 12.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.59 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -33.13 -60.89 0.43 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.117 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.37 4.98 59.38 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.941 HD21 HG21 ' A' ' 45' ' ' VAL . 9.7 tp -69.65 168.62 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' ILE . 1.1 mt-30 -157.1 123.44 4.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.481 HG22 ' CD2' ' A' ' 63' ' ' HIS . 2.2 mt -37.97 151.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.481 ' CD2' HG22 ' A' ' 62' ' ' ILE . 30.9 m-70 66.12 49.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.927 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -114.0 171.51 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.597 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 13.7 ttt180 -134.96 85.27 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.615 HG23 HG12 ' A' ' 95' ' ' VAL . 1.5 mt -50.52 135.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.524 ' CD1' ' O ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -108.37 -42.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -148.19 150.88 34.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 110.258 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.954 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.94 117.04 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.693 ' HA ' HG12 ' A' ' 94' ' ' VAL . 3.4 t-20 58.66 16.48 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.29 -1.17 54.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.71 127.35 39.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -82.58 126.29 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 11.3 mt -124.08 1.59 8.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 t -50.32 -38.33 41.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -112.64 21.84 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -98.7 178.03 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 p -116.25 -177.49 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.695 ' O ' HG23 ' A' ' 83' ' ' VAL . 31.9 t-80 -64.66 -33.84 76.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.36 -50.79 62.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.91 -46.1 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 85' ' ' ALA . . . -54.69 -52.5 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 79' ' ' HIS . 48.5 t -55.86 -55.13 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -52.02 -40.04 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.62 -54.47 45.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.445 ' HE1' HD12 ' A' ' 14' ' ' LEU . 25.8 m-85 -65.64 -26.43 67.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -75.88 -48.34 21.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.1 p -83.39 -5.88 59.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -71.09 143.81 50.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.476 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 22.6 mmtm -109.26 154.51 22.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.528 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.2 mt-10 -91.44 142.93 27.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.98 146.13 85.82 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.025 -0.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 19.7 mt -97.89 112.35 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 70' ' ' ASN . 7.2 p -84.07 112.17 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.954 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -116.84 147.42 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 2.6 tt0 -131.04 141.04 50.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.605 HG11 ' OD2' ' A' ' 64' ' ' ASP . 30.8 m -129.62 165.07 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.507 HD12 HD12 ' A' ' 67' ' ' ILE . 13.0 mt -112.27 116.38 30.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.583 ' HB2' HD21 ' A' ' 10' ' ' LEU . 3.3 mtt180 -117.12 140.15 49.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -42.85 165.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.43 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 64.7 p -56.91 135.27 55.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.5 t -116.81 -58.19 2.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.8 -159.93 33.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.59 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.7 158.32 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 m 50.15 96.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p 179.13 170.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -82.54 99.04 9.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.99 -96.21 0.86 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.565 1.165 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -172.97 110.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.969 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 56.96 93.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.55 -118.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.105 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.67 156.19 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.451 ' HA ' HD12 ' A' ' 98' ' ' LEU . 41.2 p -114.02 125.24 53.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 99' ' ' ARG . 3.3 mt -117.49 156.44 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -108.77 140.88 41.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.541 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.98 133.97 34.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 66.4 t -98.46 116.9 42.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.558 HD12 HG21 ' A' ' 95' ' ' VAL . 66.7 mt -103.95 154.27 19.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -132.52 171.96 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.625 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.454 HH21 ' N ' ' A' ' 20' ' ' SER . 7.0 mtp180 -121.49 103.04 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.45 -60.09 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -154.66 70.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.67 51.6 58.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.454 ' N ' HH21 ' A' ' 16' ' ' ARG . 7.3 t -169.42 102.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -51.95 -33.17 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.02 34.21 4.37 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -178.22 -179.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.967 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.33 -176.52 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.443 HG13 ' CD2' ' A' ' 79' ' ' HIS . 2.0 pt -150.63 162.64 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.494 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.7 pt -129.44 166.41 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.41 -153.9 16.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.45 133.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -91.93 127.31 50.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 62.54 5.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -179.44 149.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 53.6 t -132.93 -49.77 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 60.22 -84.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' VAL . 56.8 t-20 -157.21 115.0 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 42.05 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.12 157.53 46.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.4 54.55 0.1 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.44 79.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.052 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -159.09 -59.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.2 p -172.16 78.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -131.59 156.8 45.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.444 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -169.96 161.91 35.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.444 HD13 ' O ' ' A' ' 42' ' ' GLY . 23.9 mm -111.68 120.62 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.598 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 48.5 m-85 -134.59 165.42 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.788 HG23 ' OD1' ' A' ' 64' ' ' ASP . 74.7 t -105.56 120.64 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.494 ' HB2' HG21 ' A' ' 26' ' ' ILE . 40.9 t -114.28 6.85 16.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.89 146.83 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.657 HG22 ' HB2' ' A' ' 55' ' ' ALA . 53.0 mt -150.31 131.36 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.612 HG12 ' H ' ' A' ' 52' ' ' GLY . 96.8 t -79.18 118.05 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -69.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -15.88 14.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.95 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.612 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -57.31 154.36 20.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -2.11 12.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' O ' ' HA3' ' A' ' 58' ' ' GLY . . . -90.57 -33.19 15.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.657 ' HB2' HG22 ' A' ' 48' ' ' ILE . . . -91.58 -32.15 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -60.48 -83.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLY . 7.4 mm-40 -101.93 -24.21 14.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -34.36 -56.87 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.1 -0.05 62.01 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.872 HD11 ' OD2' ' A' ' 64' ' ' ASP . 7.1 tp -65.91 167.82 9.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -159.7 126.82 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.653 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.3 mt -37.71 153.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.653 ' CD2' HG22 ' A' ' 62' ' ' ILE . 8.9 m170 62.72 51.45 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.585 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.872 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -113.85 168.56 9.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.598 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 7.6 ttt180 -132.24 83.74 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.529 HG23 HG12 ' A' ' 95' ' ' VAL . 1.6 mt -50.48 125.45 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.798 HG13 HD13 ' A' ' 98' ' ' LEU . 1.4 mm -98.55 -45.33 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -149.91 154.32 38.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.109 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -138.62 113.1 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 72.77 -50.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 69' ' ' VAL . . . 163.81 24.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -116.05 123.89 49.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.641 ' C ' HD23 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -61.84 113.24 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.641 HD23 ' C ' ' A' ' 73' ' ' ASP . 9.7 mt -115.81 0.6 13.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -63.1 -41.04 99.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -112.68 22.34 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -96.05 177.28 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -115.9 166.25 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 83' ' ' VAL . 56.5 t-80 -49.79 -38.62 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -52.79 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -67.05 -47.56 70.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.51 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -50.43 -48.18 56.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 79' ' ' HIS . 33.7 t -60.26 -55.49 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -50.23 -40.57 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -57.56 -56.4 22.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.909 ' CE1' HG21 ' A' ' 69' ' ' VAL . 33.7 m-85 -65.75 -26.04 67.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -38.57 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.1 p -100.68 6.8 44.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.372 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -72.56 145.57 47.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -115.54 150.79 36.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.5 mp0 -91.13 144.23 29.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.04 134.11 34.45 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.013 0.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.457 HG22 HG22 ' A' ' 95' ' ' VAL . 16.0 mt -85.4 110.01 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -86.2 110.66 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.109 HG13 HG23 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -115.63 151.02 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -131.73 136.68 47.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.691 HG11 ' OD2' ' A' ' 64' ' ' ASP . 17.1 m -130.65 162.0 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.798 HD13 HG13 ' A' ' 67' ' ' ILE . 4.5 mp -113.93 105.0 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.504 ' HG2' ' CD1' ' A' ' 10' ' ' LEU . 6.7 ptp180 -130.56 140.15 50.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 171.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -94.68 139.7 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.458 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.0 t -167.69 154.62 8.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.78 103.03 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.96 -65.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.2 m -56.94 124.7 19.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 p -89.24 133.29 34.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.94 80.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.26 61.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -106.77 93.6 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.65 84.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.39 -140.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.29 155.15 46.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 p -115.28 116.39 28.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.913 HD12 ' HG3' ' A' ' 99' ' ' ARG . 15.7 mt -105.79 153.61 21.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.31 140.45 38.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.49 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.49 133.02 28.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -98.69 116.67 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD23 ' HA2' ' A' ' 58' ' ' GLY . 39.1 mt -105.66 154.62 20.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -121.39 175.75 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.568 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.555 ' HG3' HD11 ' A' ' 93' ' ' ILE . 5.6 mtm-85 -127.34 87.97 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -67.43 -8.95 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 3.0 t 159.31 61.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.05 48.21 14.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.463 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 4.1 m -126.76 -37.85 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 2.8 mm? 70.9 -51.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 23' ' ' PHE . . . 102.22 50.95 1.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.455 ' HB3' ' O ' ' A' ' 22' ' ' GLY . 1.4 p90 178.51 172.9 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 0.721 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -132.7 159.58 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.579 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.4 pt -125.94 159.88 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.596 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.0 pt -134.92 159.34 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.96 109.61 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.46 120.55 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -124.59 154.64 69.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 78.75 2.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.34 174.48 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.8 -59.66 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.33 151.77 3.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -135.23 168.24 19.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 56.27 77.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -163.74 127.97 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.58 -66.31 2.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 m -47.53 133.93 12.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.34 100.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -149.0 114.95 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -40.73 158.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.92 137.52 9.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.2 mm -100.63 119.54 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -138.02 150.15 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.47 HG21 HD21 ' A' ' 60' ' ' LEU . 85.2 t -92.21 125.2 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.596 ' HB2' HG21 ' A' ' 26' ' ' ILE . 20.9 t -113.13 -25.9 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 48' ' ' ILE . 1.1 tmtp? -127.56 152.55 47.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.57 HD11 ' HG ' ' A' ' 60' ' ' LEU . 3.3 mt -156.13 102.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.553 ' CG1' ' HA3' ' A' ' 52' ' ' GLY . 4.1 p -63.59 149.01 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.28 -66.9 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.2 t -44.14 -47.58 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.553 ' HA3' ' CG1' ' A' ' 49' ' ' VAL . . . -35.73 147.89 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.431 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -74.97 -7.0 18.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.568 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -80.12 -32.1 39.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -92.13 -27.52 17.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 1.8 mmmt -66.44 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.1 pt-20 -100.71 -26.49 13.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.634 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -34.07 -55.22 0.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.57 4.39 73.33 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.57 ' HG ' HD11 ' A' ' 48' ' ' ILE . 11.0 tp -65.91 158.97 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 62' ' ' ILE . 2.3 tt0 -147.18 123.49 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.701 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.1 mt -40.16 154.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.701 ' CD2' HG22 ' A' ' 62' ' ' ILE . 0.8 OUTLIER 62.67 38.55 11.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 13.0 m-20 -117.38 125.78 51.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -89.5 103.83 16.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.236 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.428 HG23 HG12 ' A' ' 95' ' ' VAL . 1.4 mt -57.48 142.49 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.655 ' CD1' HD13 ' A' ' 98' ' ' LEU . 1.6 mm -110.24 -48.8 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -145.84 152.63 39.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.979 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.55 117.73 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.58 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 3.6 t-20 56.84 18.04 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.8 -3.11 55.85 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.15 126.82 39.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.666 ' O ' HD23 ' A' ' 74' ' ' LEU . 7.4 t70 -80.03 135.31 36.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 73' ' ' ASP . 12.8 mt -132.93 9.24 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.7 p -60.47 -40.36 90.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 20.58 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -95.91 177.55 5.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.4 t -114.99 164.31 14.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.579 ' CD2' HG13 ' A' ' 25' ' ' ILE . 49.1 t-80 -49.41 -35.44 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -52.13 62.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -66.39 -47.79 72.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.01 -55.11 19.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' HIS . 33.7 t -52.84 -55.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -51.14 -46.55 62.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -53.76 -52.84 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.55 ' CE1' HG21 ' A' ' 69' ' ' VAL . 27.3 m-85 -67.09 -26.08 66.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -75.93 -42.15 49.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -88.14 -12.05 45.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -58.09 150.71 20.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.58 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -118.75 152.83 35.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -91.99 139.88 24.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -75.01 143.43 77.77 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.001 0.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.555 HD11 ' HG3' ' A' ' 16' ' ' ARG . 15.0 mt -95.62 111.51 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.7 OUTLIER -83.61 112.9 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.979 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -118.47 150.15 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -133.66 136.77 44.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.49 HG13 HD11 ' A' ' 12' ' ' LEU . 22.0 m -127.7 165.76 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.655 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -105.07 101.12 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.913 ' HG3' HD12 ' A' ' 10' ' ' LEU . 1.9 mmm-85 -99.44 137.89 37.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -69.59 -56.47 7.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.0 t -166.13 160.79 16.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 m 63.42 159.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 158.39 73.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -57.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.5 m 68.01 93.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.8 m -102.91 163.2 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -92.48 82.13 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.742 . . . . 0.0 109.962 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -161.32 166.78 26.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.84 -178.13 33.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -65.57 102.21 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.04 156.57 29.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.016 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.24 -156.42 13.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.36 155.75 46.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.593 ' C ' HD13 ' A' ' 10' ' ' LEU . 4.2 p -114.03 120.29 40.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.053 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.708 HD23 ' HG3' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -106.2 158.11 17.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -106.75 140.61 39.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.67 HD21 ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -139.71 134.5 32.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -100.05 117.03 44.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.716 HD23 ' HA2' ' A' ' 58' ' ' GLY . 27.5 mt -108.98 154.91 21.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -125.98 166.33 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.629 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.477 ' HG2' HD13 ' A' ' 21' ' ' LEU . 7.3 mtm105 -116.13 90.6 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.38 -17.68 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.55 55.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 53.81 40.98 65.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 25.7 m -122.11 -37.49 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.792 . . . . 0.0 109.96 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 21' ' ' LEU . 2.1 mm? 71.83 -46.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 20' ' ' SER . . . 102.98 44.32 1.78 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 111.047 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -177.44 177.52 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 0.776 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -134.73 154.86 51.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 2.6 pt -123.97 154.04 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.492 HG21 ' HB2' ' A' ' 46' ' ' SER . 2.8 pt -132.75 165.09 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.2 100.32 1.03 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.93 132.04 1.75 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.24 155.99 77.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.784 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 122.57 7.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.2 p -115.9 164.55 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.0 t -145.2 -58.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -58.03 127.83 34.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -77.82 96.32 4.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -174.09 119.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.635 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.06 -56.03 4.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.36 -123.71 16.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.5 p -76.6 149.89 36.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -61.15 123.14 16.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -121.25 133.16 55.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 60.55 163.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.622 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -144.72 176.22 23.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.622 HD13 ' O ' ' A' ' 42' ' ' GLY . 33.4 mm -121.08 121.98 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 0.778 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CE2' ' HG3' ' A' ' 65' ' ' ARG . 78.7 m-85 -137.75 153.39 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.635 HG11 HD11 ' A' ' 48' ' ' ILE . 93.8 t -93.31 113.5 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.492 ' HB2' HG21 ' A' ' 26' ' ' ILE . 9.6 t -98.84 -40.85 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 155.32 32.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.635 HD11 HG11 ' A' ' 45' ' ' VAL . 4.3 mt -151.92 108.74 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.547 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 43.1 t -64.18 128.03 25.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.66 -70.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.49 -19.03 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.458 ' H ' HG12 ' A' ' 49' ' ' VAL . . . -55.85 152.95 16.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.0 13.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HA ' HD22 ' A' ' 14' ' ' LEU . . . -90.28 -34.88 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HB2' ' CG2' ' A' ' 48' ' ' ILE . . . -91.95 -27.2 18.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -66.2 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' GLY . 6.3 mm-40 -101.19 -25.07 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.716 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -34.92 -55.39 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.59 6.0 66.32 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 97' ' ' VAL . 7.3 tp -67.15 172.77 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -158.1 130.98 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.622 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.8 mt -47.55 156.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.622 ' CD2' HG22 ' A' ' 62' ' ' ILE . 10.0 m170 58.01 47.69 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 40.8 m-20 -125.82 139.47 53.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.511 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 17.8 ttt180 -101.01 107.49 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.1 132.45 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.795 HD11 ' HB2' ' A' ' 98' ' ' LEU . 2.8 mm -96.13 -47.07 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -155.11 154.85 33.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.982 HG23 HG13 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -139.93 113.59 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 74.13 -50.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 162.94 23.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.663 ' HB3' HD21 ' A' ' 74' ' ' LEU . 5.4 mtt180 -116.2 124.78 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.692 ' C ' HD23 ' A' ' 74' ' ' LEU . 2.4 t0 -62.86 110.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.692 HD23 ' C ' ' A' ' 73' ' ' ASP . 7.6 mt -114.05 8.42 17.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.7 p -66.73 -47.67 71.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -113.25 21.69 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -87.19 179.05 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 p -113.26 163.19 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.696 ' O ' HG23 ' A' ' 83' ' ' VAL . 51.2 t-80 -50.5 -30.63 13.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.56 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -52.08 42.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.76 -49.53 70.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.603 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -53.8 -56.26 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 79' ' ' HIS . 52.4 t -52.13 -54.11 15.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 88' ' ' THR . 24.0 tt0 -55.6 -41.33 73.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.709 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -58.51 -52.61 64.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 69' ' ' VAL . 21.2 m-85 -66.36 -24.97 66.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -50.63 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 84' ' ' GLU . 22.0 p -80.77 -12.75 59.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -56.95 140.16 49.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -107.05 153.09 23.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.529 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 13.2 mt-10 -92.83 141.07 23.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.98 145.26 83.46 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.049 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 11.7 mt -96.27 111.67 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.2 t -83.85 110.65 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.982 HG13 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -115.67 150.44 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.8 OUTLIER -131.76 139.87 49.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.67 ' CG2' HD21 ' A' ' 12' ' ' LEU . 4.6 m -130.48 163.82 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 67' ' ' ILE . 0.6 OUTLIER -111.91 110.19 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.708 ' HG3' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -109.03 131.94 54.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -178.31 5.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 t -102.17 57.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.447 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.42 159.74 42.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 126.92 173.94 13.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 t -48.8 150.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.94 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.83 103.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.572 1.17 . . . . 0.0 111.035 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -132.27 156.81 45.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.737 . . . . 0.0 110.009 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t 57.9 168.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.27 158.57 24.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.567 1.167 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m 60.54 115.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.757 . . . . 0.0 109.973 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -152.8 160.89 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 110.016 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.7 -150.29 5.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.67 156.19 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.627 ' C ' HD12 ' A' ' 10' ' ' LEU . 25.2 p -114.63 116.42 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.4 mp -105.35 150.16 25.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -101.65 140.81 35.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.75 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -136.34 135.53 38.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 52.8 t -99.42 116.41 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.692 HD12 ' HE1' ' A' ' 86' ' ' PHE . 33.5 mt -99.59 154.27 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.426 ' O ' HD13 ' A' ' 21' ' ' LEU . 25.8 m-70 -137.74 -178.66 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.601 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -133.73 104.35 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -33.95 62.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -167.23 68.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 49.57 35.0 21.5 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -146.57 89.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.61 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 3.8 mm? -43.15 -38.73 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.567 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 96.29 46.49 2.57 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.6 174.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -133.3 171.31 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.618 HD11 HG23 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -134.22 155.45 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 46' ' ' SER . 3.3 pt -129.93 163.29 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.5 143.07 11.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.51 -172.21 21.3 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.33 144.82 0.23 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 135.97 19.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.78 -73.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.2 t 46.49 55.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -40.96 -67.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -167.11 97.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.72 178.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 59.41 158.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.99 108.07 1.98 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 p -59.68 170.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.767 . . . . 0.0 109.967 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 40' ' ' SER . 12.4 m -114.61 128.9 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.6 OUTLIER 160.29 -179.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 64.67 163.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.494 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -128.87 154.35 20.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.137 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 42' ' ' GLY . 23.8 mm -113.95 120.41 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 25.7 m-85 -135.72 168.88 18.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.878 HG21 HD21 ' A' ' 60' ' ' LEU . 56.4 t -107.0 126.81 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.525 ' HB2' HG21 ' A' ' 26' ' ' ILE . 48.2 t -121.68 -6.56 9.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HA ' HD11 ' A' ' 62' ' ' ILE . 4.9 tttp -144.97 137.47 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.492 HG13 ' CG1' ' A' ' 45' ' ' VAL . 3.4 mt -146.47 112.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.766 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.8 m -71.96 149.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.562 ' O ' ' C ' ' A' ' 51' ' ' SER . 41.3 m-20 -73.62 -92.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.562 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -25.5 -50.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.539 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -33.09 144.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.517 ' HA ' ' CG ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -75.0 -3.53 14.06 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -84.34 -21.38 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -92.67 -60.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.517 ' CG ' ' HA ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -52.21 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.626 ' O ' ' C ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -74.62 -58.03 3.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.626 ' C ' ' O ' ' A' ' 57' ' ' GLU . . . -12.59 -65.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . 97.06 -1.43 60.93 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.922 HD11 ' OD2' ' A' ' 64' ' ' ASP . 7.6 tp -64.33 168.54 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.63 133.01 14.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.935 HG22 ' CD2' ' A' ' 63' ' ' HIS . 4.9 mm -47.36 135.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.935 ' CD2' HG22 ' A' ' 62' ' ' ILE . 62.6 m-70 73.95 59.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.922 ' OD2' HD11 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -117.8 173.9 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 44' ' ' PHE . 9.7 ttt180 -133.8 82.75 2.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.587 HG23 HG12 ' A' ' 95' ' ' VAL . 2.1 mt -52.37 130.36 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.715 ' CD1' HD13 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -104.29 -41.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -147.47 150.48 34.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.065 HG23 HG13 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -139.05 115.97 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 90' ' ' LYS . 1.9 t-20 62.37 13.98 6.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.07 1.47 55.98 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.08 124.36 37.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.654 ' O ' HD23 ' A' ' 74' ' ' LEU . 1.2 m-20 -73.11 122.62 22.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 73' ' ' ASP . 20.5 mt -127.05 5.39 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 p -55.36 -39.35 69.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -112.7 20.83 16.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -95.0 177.73 5.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -117.7 170.45 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.561 ' CD2' HG13 ' A' ' 25' ' ' ILE . 58.2 t-80 -51.57 -42.9 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.591 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -52.12 65.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.95 -50.65 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.55 ' HA ' HD13 ' A' ' 74' ' ' LEU . . . -49.41 -53.69 21.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.618 HG23 HD11 ' A' ' 25' ' ' ILE . 17.2 t -52.57 -56.47 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -51.06 -42.0 60.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.35 -54.39 46.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' A' ' 69' ' ' VAL . 45.5 m-85 -68.83 -25.74 64.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -37.25 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 p -100.48 0.11 39.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.26 145.04 55.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -112.74 151.15 30.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.3 mp0 -92.01 141.44 25.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.97 142.75 75.7 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.023 -0.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 12.2 mt -93.93 111.39 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.5 t -83.58 111.17 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.065 HG13 HG23 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -115.84 151.44 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 0.3 OUTLIER -134.28 137.77 44.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.75 HG13 HD11 ' A' ' 12' ' ' LEU . 35.8 m -130.61 164.2 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.715 HD13 ' CD1' ' A' ' 67' ' ' ILE . 0.7 OUTLIER -106.65 104.75 14.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -103.19 139.56 38.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 167.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 78.6 p -56.43 176.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -87.23 135.72 33.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -136.25 167.61 24.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 90.43 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.8 p 178.19 153.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.0 p -78.61 129.5 34.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -114.64 109.12 17.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.36 156.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.31 120.65 5.38 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -121.5 124.67 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -101.5 97.94 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.99 -158.32 21.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.518 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.0 mptm? -126.11 153.11 45.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.938 ' C ' HD13 ' A' ' 10' ' ' LEU . 14.7 p -126.51 129.96 49.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.948 HD21 ' HB2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -121.99 154.43 37.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -107.1 140.89 39.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.676 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.51 148.63 39.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -102.27 116.79 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD11 HD22 ' A' ' 60' ' ' LEU . 36.0 mt -103.34 154.87 18.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -141.85 164.5 30.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.603 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.753 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -130.06 105.56 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.86 -57.12 12.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 m -138.21 86.96 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 40.46 38.11 1.36 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 m -151.68 118.46 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.995 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -69.67 -7.95 43.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.25 -55.28 5.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.732 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -75.31 -179.02 4.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.771 . . . . 0.0 110.995 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -136.18 161.57 35.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.531 HG13 ' CD2' ' A' ' 79' ' ' HIS . 3.9 pt -128.32 159.85 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 pt -125.88 165.96 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.27 -161.29 14.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.68 164.52 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.16 128.62 20.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 63.59 6.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -140.35 143.81 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.96 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 32' ' ' VAL . 3.0 p -128.77 58.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.2 -63.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -172.29 -58.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 167.96 1.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 67.59 154.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.03 -119.16 0.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.15 -66.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.7 81.15 2.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 p 178.36 102.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ALA . 3.8 tt0 174.74 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.37 124.64 6.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 77' ' ' ALA . 12.9 mm -92.87 129.14 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 27.9 m-85 -142.62 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.639 HG21 HD21 ' A' ' 60' ' ' LEU . 94.3 t -100.15 119.2 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -114.37 -5.08 12.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.94 146.61 35.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.665 HD12 ' N ' ' A' ' 62' ' ' ILE . 6.5 mt -154.15 113.65 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.86 HG22 ' H ' ' A' ' 52' ' ' GLY . 2.1 p -71.54 138.17 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 52' ' ' GLY . 0.6 OUTLIER -68.27 -84.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -24.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.86 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -51.55 157.56 2.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -74.97 -12.24 21.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -73.49 -38.22 65.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -94.16 -42.56 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -45.65 -83.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 58' ' ' GLY . 5.9 mm-40 -101.16 -32.17 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.586 ' CA ' HD23 ' A' ' 14' ' ' LEU . . . -26.45 -66.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.01 1.03 54.92 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.732 HD23 ' CD2' ' A' ' 23' ' ' PHE . 6.0 tp -70.06 168.66 15.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -153.29 128.09 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 48' ' ' ILE . 3.0 mt -43.2 150.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.573 ' CD2' HG22 ' A' ' 62' ' ' ILE . 36.0 m-70 61.8 49.74 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.571 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -134.28 125.61 28.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.226 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.574 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 41.8 ttt180 -85.96 126.0 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.432 ' C ' HD13 ' A' ' 67' ' ' ILE . 1.2 mt -77.03 132.72 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 67' ' ' ILE . 1.6 mm -99.26 -55.74 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -137.6 154.94 49.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.021 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -141.0 115.56 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.48 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 2.5 t-20 55.35 19.19 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.16 -4.42 52.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -92.52 131.89 37.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.635 ' O ' HD23 ' A' ' 74' ' ' LEU . 1.5 m-20 -81.87 129.75 34.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 73' ' ' ASP . 8.5 mt -124.51 2.92 8.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.0 t -60.21 -39.45 86.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.27 21.01 15.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -99.99 167.92 10.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 81' ' ' GLN . 9.2 t -102.83 166.58 10.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.531 ' CD2' HG13 ' A' ' 25' ' ' ILE . 50.9 t-80 -50.65 -41.38 55.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -52.2 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.422 ' H ' HG23 ' A' ' 78' ' ' THR . 8.9 mt-30 -62.48 -49.09 76.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -51.58 -50.67 59.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 79' ' ' HIS . 40.4 t -57.6 -55.7 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.787 ' O ' HG23 ' A' ' 88' ' ' THR . 6.9 tt0 -52.86 -46.6 67.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.18 -50.41 61.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.921 ' CE1' HG21 ' A' ' 69' ' ' VAL . 29.5 m-85 -68.45 -25.68 65.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -43.84 56.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 84' ' ' GLU . 10.3 p -87.32 0.21 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.72 154.38 40.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.48 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -128.73 145.62 51.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 1.6 mp0 -83.64 142.82 43.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.99 134.96 38.29 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.013 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.478 HG22 HG22 ' A' ' 95' ' ' VAL . 26.5 mt -88.46 113.08 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' ASN . 43.0 t -82.6 110.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.021 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -120.28 151.03 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.469 ' NE2' ' CB ' ' A' ' 9' ' ' SER . 8.2 tt0 -134.71 147.92 50.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.676 HG13 HD11 ' A' ' 12' ' ' LEU . 23.1 m -131.9 161.13 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 8' ' ' LYS . 11.6 mt -106.52 112.26 25.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.948 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -107.35 137.67 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.21 171.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -55.09 134.82 49.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.8 p -95.75 164.82 12.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.92 -145.57 4.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.085 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.05 14.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.1 t -112.89 166.17 11.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 m -170.28 118.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.05 146.55 49.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 62.38 147.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.25 118.78 2.97 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t -41.15 151.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.06 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 p -106.35 151.68 24.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.38 -156.72 28.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.653 ' O ' HD23 ' A' ' 98' ' ' LEU . 4.3 mptt -141.79 153.18 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.857 ' C ' HD13 ' A' ' 10' ' ' LEU . 54.4 p -127.13 122.25 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.857 HD13 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -114.28 154.77 27.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.1 140.8 38.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.659 HD11 HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -140.56 141.04 35.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -99.46 116.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.706 HD11 HD22 ' A' ' 60' ' ' LEU . 25.1 mt -101.3 155.1 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.424 ' C ' HD13 ' A' ' 21' ' ' LEU . 62.8 m-70 -138.3 134.06 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 1.2 ptt180 -98.22 83.42 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.22 88.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.91 69.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 44.0 55.83 5.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.76 87.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.51 ' CD2' ' HB3' ' A' ' 16' ' ' ARG . 1.9 mm? -61.78 -39.53 92.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.581 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . 101.79 43.27 2.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' HZ ' ' CE2' ' A' ' 86' ' ' PHE . 1.9 p90 -174.58 174.08 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.67 170.46 15.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 79' ' ' HIS . 1.0 OUTLIER -132.61 161.39 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' A' ' 46' ' ' SER . 6.3 pt -126.69 162.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.58 -151.5 17.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.76 149.62 0.81 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -138.3 159.38 68.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.44 14.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.512 1.796 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.1 p -116.67 118.52 32.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.1 m -124.45 62.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.12 155.71 49.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -76.8 163.14 27.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.9 m80 68.85 -78.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -162.38 131.02 4.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.42 101.66 0.79 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.15 118.9 2.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -93.41 -61.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.81 118.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -125.76 162.86 24.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.99 133.07 8.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.1 mm -101.86 120.95 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 65' ' ' ARG . 24.1 m-85 -137.85 148.64 45.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.442 HG21 HD21 ' A' ' 60' ' ' LEU . 99.8 t -90.0 126.94 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.457 ' HB2' HG21 ' A' ' 26' ' ' ILE . 20.6 t -119.08 -5.93 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.58 149.25 32.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.488 HD11 ' HG ' ' A' ' 60' ' ' LEU . 8.7 mt -154.34 116.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.581 HG22 ' CA ' ' A' ' 22' ' ' GLY . 2.0 m -70.78 149.66 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.5 OUTLIER -76.06 -90.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.551 ' C ' ' O ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -25.76 -49.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.495 ' HA3' ' CG2' ' A' ' 49' ' ' VAL . . . -32.22 147.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.01 -8.17 19.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 21' ' ' LEU . . . -79.26 -30.54 43.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 49' ' ' VAL . . . -94.48 -33.65 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 53' ' ' PRO . 22.9 mmtt -61.01 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 58' ' ' GLY . 42.4 mt-10 -102.09 -18.24 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 54' ' ' ALA . . . -33.61 -65.88 0.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.09 -10.87 34.1 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.706 HD22 HD11 ' A' ' 14' ' ' LEU . 6.2 tp -62.26 169.19 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -163.96 128.65 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.632 HG22 ' CD2' ' A' ' 63' ' ' HIS . 1.6 mt -39.55 156.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.632 ' CD2' HG22 ' A' ' 62' ' ' ILE . 9.5 m170 57.63 51.06 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.06 118.97 18.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.579 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 57.9 ttt180 -83.49 116.64 22.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -70.01 136.21 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.466 HD12 HD12 ' A' ' 98' ' ' LEU . 1.1 mm -104.61 -48.54 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -144.29 151.86 39.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.027 HG23 ' CG1' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -140.65 117.04 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.478 ' ND2' ' H ' ' A' ' 90' ' ' LYS . 5.4 t-20 57.08 19.96 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.3 -0.56 58.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.572 1.17 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.615 ' HG2' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -97.17 125.89 41.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.605 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -74.59 131.69 41.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.615 HD21 ' HG2' ' A' ' 72' ' ' ARG . 31.6 mt -123.9 0.63 8.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -60.08 -38.75 83.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.83 21.77 15.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -102.36 168.14 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 81' ' ' GLN . 8.5 t -102.98 176.35 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.426 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.56 ' CD2' HG13 ' A' ' 25' ' ' ILE . 57.7 t-80 -59.89 -38.4 82.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.557 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -52.16 63.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.449 ' H ' HG23 ' A' ' 78' ' ' THR . 15.8 mt-30 -61.78 -51.4 68.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -50.47 -54.79 19.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 79' ' ' HIS . 40.9 t -53.32 -54.96 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.73 -43.04 62.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.661 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.11 -53.6 55.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.663 ' CE1' HG21 ' A' ' 69' ' ' VAL . 39.4 m-85 -65.82 -25.06 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -76.73 -49.72 15.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 50.5 p -82.01 -10.52 59.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -62.73 153.32 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.478 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -124.57 150.07 46.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 92' ' ' PRO . 2.4 mp0 -87.83 143.99 34.29 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.06 132.72 28.51 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.976 -2.51 . . . . 0.0 110.973 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.481 HG22 HG22 ' A' ' 95' ' ' VAL . 25.5 mt -85.65 111.83 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 70' ' ' ASN . 40.4 t -82.08 110.13 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.027 ' CG1' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -117.95 151.11 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 97' ' ' VAL . 1.6 tt0 -135.14 141.78 46.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.659 HG13 HD11 ' A' ' 12' ' ' LEU . 30.7 m -126.46 165.47 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 8' ' ' LYS . 10.5 mt -113.82 118.47 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.659 ' HB2' HD21 ' A' ' 10' ' ' LEU . 11.3 mtt180 -127.54 138.57 52.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -44.48 168.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.2 p -63.98 152.77 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.72 157.74 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 166.28 179.23 39.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 143.23 29.02 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.3 t -156.8 124.51 5.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.73 158.64 0.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.976 . . . . . . . . 0 0 . 1 stop_ save_