data_1l5i_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 1l5i _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.7 t80 -74.03 103.05 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.06 109.69 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.437 HD12 ' CZ ' ' A' ' 7' ' ' PHE . 56.9 mt -107.45 135.97 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.46 110.86 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.68 27.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -23.01 24.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.48 ' HB2' ' CB ' ' A' ' 94' ' ' ALA . 4.9 m-80 -114.88 135.79 53.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.8 m-85 -133.57 135.57 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.579 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 49.5 m-85 -120.37 126.91 51.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -105.24 135.09 47.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.422 HG21 ' NE2' ' A' ' 57' ' ' HIS . 10.3 m -123.44 123.42 40.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 4.0 m-85 -117.02 102.33 52.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.04 139.98 24.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER 39.21 48.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.9 t -106.49 119.6 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 108.313 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.61 13.97 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -70.97 135.42 47.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.445 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 8.1 p -84.57 162.97 19.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.17 -28.9 65.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.12 -48.08 72.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.445 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 4.6 m120 -65.68 -44.06 87.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.97 -33.57 73.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -69.08 -43.3 74.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 51.1 m -68.24 -45.83 72.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.45 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 34.2 mt-30 -65.77 -46.85 77.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 7.8 mm -64.81 -45.47 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 54.8 m -63.66 -36.27 83.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.1 m120 -82.33 -10.25 59.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.45 118.74 17.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.629 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.1 pt20 -79.22 162.67 25.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.468 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -147.11 158.08 45.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.02 -7.12 18.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.595 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.2 -107.26 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.42 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.595 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.1 t30 -168.52 139.84 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -91.06 121.82 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.461 HD11 ' ND2' ' A' ' 40' ' ' ASN . 1.0 OUTLIER -98.95 -86.0 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -103.15 155.28 18.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.406 HD12 ' CZ3' ' A' ' 113' ' ' TRP . 95.9 mt -140.78 123.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -122.89 117.25 25.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 57.1 mt -119.81 116.42 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 t -128.35 138.68 52.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 108.321 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -96.95 143.16 28.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 57' ' ' HIS . 32.8 tt0 -146.26 132.27 19.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.2 mp -98.99 135.63 40.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.492 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 63.0 m170 -80.8 156.28 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -6.99 31.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.14 -1.48 53.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.99 5.17 86.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -96.1 132.53 26.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 0.762 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.91 7.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.492 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 4.2 t-80 -115.75 154.42 29.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 1.4 tm? -127.77 142.43 51.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.463 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -120.75 141.08 50.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.616 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.437 HG13 ' CD1' ' A' ' 58' ' ' LEU . 40.9 mt -139.75 138.54 38.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.579 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.42 111.06 7.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.1 mt -118.51 151.0 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.557 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.79 116.69 14.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -91.01 156.56 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -33.65 74.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.56 159.11 20.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -58.64 117.8 4.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.528 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 3.3 t80 -96.03 140.62 30.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.44 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.09 107.64 20.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 39.2 t -100.62 67.04 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.4 t -95.7 30.72 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.468 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -160.97 119.3 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -89.48 38.08 0.89 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.5 mtt-85 -115.7 -17.65 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.629 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.7 t80 -76.99 -39.84 48.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -87.98 12.44 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.2 m-20 -67.2 108.42 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -106.02 136.71 45.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.524 ' CG1' ' CG ' ' A' ' 86' ' ' HIS . 5.8 m -123.59 164.19 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' ARG . 29.3 t -85.52 118.59 70.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -3.2 13.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.1 p -113.2 -20.77 11.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 47.5 ttt180 -133.6 144.33 49.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.1 t -76.34 57.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.53 136.16 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.524 ' CG ' ' CG1' ' A' ' 79' ' ' VAL . 26.5 m170 -107.4 147.86 29.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -126.09 135.92 52.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.32 100.38 40.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 156.11 42.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -95.68 120.03 35.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 mt -84.94 133.51 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -135.15 133.29 39.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.76 122.98 7.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.508 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 22.0 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -38.74 88.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.7 m -57.5 -47.14 82.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -71.34 -33.63 69.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 27.7 mt -59.61 -33.37 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.65 -30.2 70.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -74.87 73.37 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.02 -176.82 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.91 96.81 0.54 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.81 70.1 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.483 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -140.84 164.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 5.8 tt -104.87 125.21 50.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.85 124.22 49.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.406 ' CZ3' HD12 ' A' ' 44' ' ' ILE . 10.7 t90 -138.48 142.9 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.55 175.19 17.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.63 124.43 42.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.557 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 5.6 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 9.7 t80 -78.69 102.36 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.88 109.83 9.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 109.947 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.519 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 45.1 mt -101.49 133.81 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.12 111.15 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.39 28.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -85.35 -27.08 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 25.9 m-80 -117.46 143.99 45.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.7 m-85 -132.99 141.71 48.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 24.9 m-85 -120.36 122.56 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.51 HD12 ' CD2' ' A' ' 76' ' ' PHE . 1.5 mm? -104.17 129.39 51.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -120.08 122.59 41.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 89' ' ' PRO . 2.8 m-85 -114.83 103.45 54.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.0 137.3 21.53 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.449 1.763 . . . . 0.0 111.02 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 38.45 42.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 9.1 t -96.62 120.95 37.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.63 13.19 9.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 15.2 tp -71.05 135.07 47.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.432 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 8.0 p -84.24 161.5 20.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.43 -28.81 66.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -47.63 74.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 2.4 m120 -67.09 -43.41 82.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.376 1.047 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.494 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.42 -35.78 78.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.1 tm? -69.27 -41.45 76.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.42 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -68.35 -45.6 72.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.059 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -67.33 -47.94 69.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.461 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 8.5 mm -62.8 -45.58 98.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 53.4 m -64.69 -38.96 92.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.1 m120 -80.45 -9.84 59.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.372 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.526 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -73.78 118.1 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.615 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.96 162.89 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.475 ' OG1' HG21 ' A' ' 39' ' ' THR . 0.2 OUTLIER -147.23 160.31 39.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.98 -25.66 11.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -96.73 -100.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.387 1.055 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.564 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -174.38 140.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -91.17 122.52 33.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.401 HD13 ' ND2' ' A' ' 40' ' ' ASN . 1.2 tp -97.19 -85.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 49.3 t80 -103.27 157.3 17.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 95.3 mt -142.39 116.32 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -112.45 127.85 56.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 89.0 mt -128.53 115.58 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.5 t -128.75 138.49 52.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 108.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -99.68 143.31 30.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -145.67 134.77 22.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -98.2 134.48 41.18 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.478 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 39.8 m170 -83.25 153.15 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.567 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.06 -6.87 48.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.403 1.064 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -83.64 1.53 41.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 1.02 89.56 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -96.68 136.32 21.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.93 9.65 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.507 1.793 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.478 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 6.0 t-80 -111.48 155.16 23.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -133.98 137.87 45.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.421 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -121.01 140.81 51.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.645 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.493 HD11 ' CE1' ' A' ' 18' ' ' TYR . 40.0 mt -142.42 139.31 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.577 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.3 110.56 7.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.5 mt -117.68 149.03 20.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.86 118.26 15.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.271 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -90.77 157.78 17.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -33.6 71.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.39 1.056 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.85 160.76 22.42 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -59.01 110.91 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.777 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.512 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 3.0 t80 -88.55 141.56 28.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.452 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.65 117.95 35.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.2 t -116.23 69.84 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.1 t -92.71 29.79 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -163.4 120.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 1.1 mt-30 -86.85 43.9 1.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 3.8 mtt180 -116.39 -17.97 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.615 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.97 -40.09 48.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' A' ' 16' ' ' LEU . 17.3 m-85 -87.85 12.92 11.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.413 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.2 m-20 -66.84 105.69 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.494 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -104.44 136.73 43.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.538 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.0 m -124.3 164.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.2 t -84.92 118.83 71.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.821 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.6 p -112.23 -21.12 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.88 144.8 49.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.248 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -76.55 56.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.09 134.3 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.538 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 21.0 m170 -105.81 145.61 30.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -126.39 134.87 50.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.18 101.64 48.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.549 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.57 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.06 159.38 41.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.39 123.88 32.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 19.9 mt -91.15 126.6 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -135.39 132.99 38.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.54 114.18 4.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.544 1.153 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.352 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.408 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 18.5 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -39.58 90.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -48.79 78.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.19 -34.6 77.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.456 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 29.5 mt -66.37 -39.48 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.64 -25.41 64.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -74.74 68.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.92 177.8 8.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.76 95.58 0.42 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 61.06 34.32 19.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 0.815 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.31 165.66 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.3 tt -105.1 146.62 28.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -128.48 127.8 43.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.337 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.651 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.5 t90 -140.16 153.42 46.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.651 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.56 177.07 10.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.53 118.74 28.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 0.714 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.506 ' HB2' ' CG ' ' A' ' 43' ' ' PHE . 5.0 t80 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.58 ' CE1' HD13 ' A' ' 9' ' ' ILE . 26.3 t80 -74.08 102.3 4.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.99 115.74 15.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.58 HD13 ' CE1' ' A' ' 7' ' ' PHE . 27.8 mt -109.26 134.83 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.08 112.48 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.09 163.56 28.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.89 -32.42 25.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -114.16 144.8 42.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 7.0 m-85 -133.65 140.86 47.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 111.075 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 18.8 m-85 -120.73 122.4 40.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.484 HD13 ' CG ' ' A' ' 76' ' ' PHE . 1.5 mm? -104.97 139.96 38.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.409 HG21 ' NE2' ' A' ' 57' ' ' HIS . 14.1 m -127.62 119.06 25.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 16.4 m-85 -107.76 101.09 38.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.0 135.57 19.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 39.17 50.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.345 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.2 t -108.15 123.26 48.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.362 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.73 13.83 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 tp -71.11 134.58 47.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.446 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 8.2 p -85.49 162.57 18.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 110.45 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.31 -29.19 65.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.5 -47.88 74.49 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 110.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.4 m120 -66.5 -44.51 82.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.489 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.47 -34.6 77.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.38 -41.84 75.98 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -68.93 -45.07 71.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 110.045 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.482 ' CB ' HD23 ' A' ' 78' ' ' LEU . 7.2 mt-30 -67.69 -47.96 67.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.489 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 4.3 mm -62.74 -46.37 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.491 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 53.5 m -63.87 -35.27 80.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.455 ' N ' HD21 ' A' ' 34' ' ' ASN . 1.6 m-80 -83.92 -8.62 59.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.54 118.35 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 1.4 mt-30 -73.56 163.11 28.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.467 ' CG2' ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -147.2 158.01 45.03 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 110.444 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.422 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.04 -25.53 11.72 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.783 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.57 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.17 -101.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.57 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.6 OUTLIER -171.26 135.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HG2' ' CE2' ' A' ' 64' ' ' PHE . 6.5 mtpp -86.64 119.83 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.37 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.9 -86.05 0.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CE2' HG23 ' A' ' 104' ' ' ILE . 54.8 t80 -103.7 155.77 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.9 mt -137.75 116.21 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.561 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -112.36 126.68 55.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 78.1 mt -129.1 114.82 33.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.437 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 15.2 t -126.92 139.39 53.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -97.07 142.35 29.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -140.06 134.0 30.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -98.42 132.95 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.6 1.188 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 37.2 m170 -82.68 153.77 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 109.643 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.14 -6.78 47.96 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -85.97 -1.55 57.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.02 4.37 81.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 19.1 pt-20 -96.4 133.56 24.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.066 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 4.4 t-80 -112.45 155.1 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.415 1.072 . . . . 0.0 109.583 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.46 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -131.77 137.83 48.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.431 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -116.04 144.91 43.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.566 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.474 HD11 ' CE1' ' A' ' 18' ' ' TYR . 51.9 mt -142.49 135.89 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.82 110.39 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.429 HD12 ' CG2' ' A' ' 60' ' ' ILE . 1.9 mt -118.47 151.92 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.567 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.06 114.93 12.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.508 ' CE2' ' HG2' ' A' ' 41' ' ' LYS . 35.3 m-85 -91.08 156.83 17.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -33.66 74.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.2 157.29 18.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.127 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -59.76 115.62 3.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.53 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.8 t80 -91.54 140.31 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.511 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.49 118.17 34.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.619 1.2 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.3 t -115.73 70.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.4 t -94.43 31.56 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.424 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -161.54 128.66 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.539 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 7.0 mt-30 -88.81 33.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.449 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -116.52 -12.51 10.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.0 t80 -77.42 -27.77 52.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.484 ' CG ' HD13 ' A' ' 16' ' ' LEU . 32.6 m-85 -104.5 13.55 31.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.449 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 65.7 m-20 -66.2 105.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.482 HD23 ' CB ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -106.18 136.94 45.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.491 HG13 ' CD2' ' A' ' 86' ' ' HIS . 3.5 m -122.19 164.74 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' ARG . 34.8 t -85.08 119.25 72.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.949 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -3.18 13.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.6 p -114.0 -20.77 10.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.9 ttm180 -133.69 145.27 49.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.03 54.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.77 135.59 51.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.491 ' CD2' HG13 ' A' ' 79' ' ' VAL . 25.6 m170 -105.66 146.8 29.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -126.37 134.18 51.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.539 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -112.84 99.51 48.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.508 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.5 Cg_endo -74.86 162.31 37.61 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.472 1.775 . . . . 0.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -91.81 123.15 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 7.4 mt -85.43 132.86 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -135.25 133.03 38.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.346 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.7 114.52 4.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.558 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 16.5 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -43.5 98.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -57.6 -48.5 79.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.158 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.561 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 26.8 t80 -66.16 -36.03 82.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 111.046 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.568 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 58.8 mt -65.13 -37.49 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -30.56 68.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -75.0 72.54 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -82.99 172.19 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.65 95.14 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 61.34 33.06 19.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 0.76 . . . . 0.0 109.237 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.487 HG22 ' CE ' ' A' ' 45' ' ' LYS . 1.2 m -119.36 166.34 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.442 ' HB2' ' CD ' ' A' ' 25' ' ' LYS . 6.2 tt -104.88 147.4 27.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.373 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.415 ' N ' HD22 ' A' ' 111' ' ' LEU . 33.3 mt-10 -133.73 130.71 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.676 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 11.3 t90 -138.83 152.75 48.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 108.048 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.676 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.22 179.78 10.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.38 121.08 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 6.2 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.577 ' CZ ' HD13 ' A' ' 9' ' ' ILE . 9.4 t80 -79.2 102.33 8.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.82 115.83 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.938 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.577 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 27.1 mt -108.32 131.95 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.85 111.19 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.65 27.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HZ3' ' NE2' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -82.67 -33.25 27.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -114.43 141.22 47.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.462 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 7.2 m-85 -128.02 142.87 51.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.591 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 29.6 m-85 -120.19 121.45 38.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -104.48 129.62 52.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -122.2 124.48 43.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.469 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 9.4 m-85 -113.1 102.14 54.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.53 19.2 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 tttm 39.96 53.1 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.2 t -113.6 125.8 54.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.323 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.15 15.19 6.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 tp -70.89 134.16 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.453 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.3 p -87.13 162.82 17.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 8.2 pttt -70.63 -29.33 65.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -48.11 72.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.2 m120 -65.75 -44.05 87.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.02 -33.23 73.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 33' ' ' THR . 0.8 OUTLIER -69.01 -42.27 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.403 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 9.0 t -68.44 -45.57 72.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.495 ' CB ' HD23 ' A' ' 78' ' ' LEU . 13.3 mt-30 -66.4 -47.55 72.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.107 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.419 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.9 mm -63.91 -45.25 97.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 43.4 m -63.67 -37.74 88.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.9 m120 -82.94 -7.1 59.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.563 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.6 OUTLIER -74.43 119.54 18.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.0 mt-30 -82.25 161.19 22.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.493 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -148.82 156.43 41.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.493 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.461 1.769 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.602 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -116.26 -108.02 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.438 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.602 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t30 -173.16 140.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -89.85 118.89 29.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.93 -54.8 3.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.404 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 44.7 t80 -137.52 156.43 48.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.3 mt -140.0 117.19 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' CE ' HG23 ' A' ' 110' ' ' VAL . 5.6 tptt -115.95 126.8 54.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 53.3 mt -128.7 115.99 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.8 t -129.24 138.47 51.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 108.346 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -98.4 143.28 29.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' HB3' ' ND1' ' A' ' 57' ' ' HIS . 8.1 tp10 -141.53 134.68 29.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.9 135.26 39.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.429 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 40.9 m170 -84.28 155.5 22.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.558 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.97 -6.8 49.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -86.66 0.06 55.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.81 5.01 86.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.429 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 21.4 pt-20 -96.25 132.67 26.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 123.5 7.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.452 1.764 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.431 ' ND1' ' HB3' ' A' ' 49' ' ' GLU . 3.6 t-80 -111.78 155.59 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.647 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.7 134.8 45.25 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.418 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -118.58 142.92 47.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.551 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 61' ' ' LEU . 39.7 mt -142.73 140.5 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.591 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.25 110.69 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.6 mt -117.07 149.93 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.527 ' NE2' ' HZ3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -135.97 116.14 13.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 110.3 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -91.91 156.08 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -33.45 73.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.32 156.37 19.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -59.07 117.24 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.462 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 4.9 t80 -95.66 142.19 28.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.82 114.21 28.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.4 t -112.39 70.69 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 108.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.5 t -95.27 31.07 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.417 ' ND2' ' HG3' ' A' ' 74' ' ' ARG . 29.1 t-20 -168.54 114.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.406 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -75.85 56.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.417 ' HG3' ' ND2' ' A' ' 72' ' ' ASN . 2.7 mmt85 -119.46 -29.05 5.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.8 t80 -74.07 -34.25 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CD2' HG12 ' A' ' 91' ' ' ILE . 27.8 m-85 -91.96 12.47 21.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 73.0 m-20 -66.81 109.02 2.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.495 HD23 ' CB ' ' A' ' 31' ' ' GLN . 1.3 mt -111.84 136.83 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.558 HG13 ' CD2' ' A' ' 86' ' ' HIS . 2.3 m -123.76 164.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.2 t -85.75 118.94 71.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -4.52 15.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.8 p -111.15 -20.6 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 80' ' ' SER . 22.6 tpp180 -133.1 142.91 48.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.2 p -76.23 56.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.053 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.28 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 79' ' ' VAL . 22.8 m170 -107.79 146.58 32.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.633 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.4 m-85 -126.36 133.27 51.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.53 102.97 53.39 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.176 . . . . 0.0 109.623 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.94 162.26 37.55 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.502 1.791 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -87.42 122.26 30.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.549 HG12 ' CD2' ' A' ' 76' ' ' PHE . 12.3 mt -90.64 126.28 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -135.2 133.03 38.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.24 114.06 4.88 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.257 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -41.28 97.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 t -57.56 -46.77 83.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.486 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 1.4 t80 -70.13 -38.91 75.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.6 mt -59.49 -27.31 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.45 -39.73 24.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -74.83 73.4 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -83.12 -163.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.36 99.16 1.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 61.28 39.56 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -119.22 163.47 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 5.4 tt -105.43 125.14 50.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -110.24 128.01 55.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.597 1.186 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -140.86 133.18 28.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.937 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.25 -175.46 54.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.62 131.58 53.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 0.716 . . . . 0.0 110.385 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 63' ' ' GLN . 13.2 t80 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.6 t80 -74.55 101.68 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.42 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -133.58 119.03 18.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.06 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.536 HD12 ' CZ ' ' A' ' 7' ' ' PHE . 37.6 mt -114.12 136.18 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 110.65 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.36 163.24 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -84.49 -26.35 28.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.428 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 6.2 m-80 -117.8 141.73 48.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 70' ' ' CYS . 4.6 m-85 -133.37 143.38 48.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.526 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 24.3 m-85 -119.77 125.0 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD13 ' CG ' ' A' ' 76' ' ' PHE . 1.4 mm? -104.86 133.51 49.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 m -121.07 117.94 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 15.6 m-85 -109.76 102.19 49.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -75.04 135.03 18.46 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER 39.71 52.31 2.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.8 t -109.99 123.39 49.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.267 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 14.57 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 tp -70.98 134.52 47.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.434 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 6.4 p -86.89 165.06 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' CB ' ' CG2' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -71.11 -29.03 64.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -65.34 -48.52 72.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 8.1 m120 -66.76 -43.81 83.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.408 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.83 -32.87 73.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.11 -44.63 72.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -43.42 74.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.555 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 16.1 mt-30 -66.13 -48.1 71.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 16.8 mm -65.49 -45.28 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 51.1 m -63.66 -33.54 75.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.374 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -85.14 -9.82 57.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.3 118.67 17.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.065 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.602 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.0 tt0 -80.63 162.48 24.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.496 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -147.64 158.33 43.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.496 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.1 -5.22 16.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.591 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.9 -107.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.591 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.1 t30 -168.34 140.28 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -90.87 121.25 32.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' HA3' ' A' ' 114' ' ' GLY . 1.1 tp -96.8 -87.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.417 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 66.9 t80 -104.97 163.33 12.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.6 mt -141.23 128.7 21.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -121.35 108.49 13.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.455 ' CG2' ' CB ' ' A' ' 25' ' ' LYS . 91.2 mt -113.2 115.44 49.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.137 . . . . 0.0 109.384 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -132.41 138.62 47.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 108.317 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -96.98 143.12 28.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -139.53 133.88 31.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -98.42 135.15 40.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.417 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 41.7 m170 -84.39 155.57 22.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 109.557 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.99 -6.91 51.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -86.11 0.63 53.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.84 4.33 87.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.399 1.062 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.417 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 22.1 pt-20 -96.31 133.68 24.61 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.38 7.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 6.4 t-80 -111.99 153.25 27.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 0.0 109.602 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -128.92 137.31 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.421 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -119.89 141.85 49.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 61' ' ' LEU . 45.2 mt -141.0 139.09 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.526 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -138.37 110.05 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.401 ' N ' HD21 ' A' ' 61' ' ' LEU . 3.6 mt -115.93 151.07 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.441 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.74 116.68 14.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -91.38 156.41 17.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -33.66 74.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.59 155.44 17.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -58.91 114.33 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.489 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 4.1 t80 -92.68 142.28 27.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.425 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -100.34 107.4 19.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 14' ' ' TYR . 37.4 t -103.89 70.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.42 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 2.6 t -98.67 32.4 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -162.46 120.83 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.49 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 26.5 mt-30 -87.64 42.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.2 -21.32 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.241 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.6 t80 -76.54 -38.72 54.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CG ' HD13 ' A' ' 16' ' ' LEU . 26.5 m-85 -87.94 12.66 12.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -66.71 106.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.555 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.4 mt -109.3 136.91 47.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.439 HG13 ' CD2' ' A' ' 86' ' ' HIS . 2.7 m -123.35 163.48 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 8.5 t -86.65 116.68 66.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.975 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 1.74 7.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 p -108.66 -25.8 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.354 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 3.0 ptp180 -137.11 150.52 48.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.77 60.31 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.948 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.88 140.54 50.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.439 ' CD2' HG13 ' A' ' 79' ' ' VAL . 24.1 m170 -109.15 147.77 31.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.549 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 13.6 m-85 -126.17 132.95 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.14 100.18 48.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.93 159.23 41.85 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.1 122.22 31.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 19.9 mt -86.86 128.84 39.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -135.45 132.84 37.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.252 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.4 113.91 4.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.493 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 12.8 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -48.08 80.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -57.99 -46.78 84.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -65.31 -33.8 76.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.2 mt -67.85 -32.34 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -70.9 -20.68 62.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -74.77 68.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.85 162.82 21.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 140.29 81.12 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.12 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 2.6 m-20 79.66 54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -141.03 168.28 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.465 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 1.6 tt -130.29 115.75 17.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.065 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.5 pm0 -110.0 145.88 36.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.655 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.6 t90 -129.9 153.22 48.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.008 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.655 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.91 -171.17 12.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 111.058 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.7 m -124.45 129.16 50.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.493 ' CZ ' HG22 ' A' ' 100' ' ' VAL . 19.8 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 ttt85 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.516 ' CE1' HD12 ' A' ' 9' ' ' ILE . 27.8 t80 -77.41 102.16 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.412 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -133.01 115.29 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.944 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.568 HG21 ' CE1' ' A' ' 14' ' ' TYR . 60.0 mt -108.65 131.89 58.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 111.99 10.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.23 163.57 28.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.87 -34.47 33.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -114.17 147.88 38.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.568 ' CE1' HG21 ' A' ' 9' ' ' ILE . 5.4 m-85 -133.19 142.68 48.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.562 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 25.2 m-85 -120.4 121.78 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -104.29 129.33 52.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.0 m -122.1 118.24 28.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.526 ' OH ' ' CD1' ' A' ' 78' ' ' LEU . 15.0 m-85 -107.31 101.98 41.53 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.08 139.67 24.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 6.2 mtmt 39.89 47.05 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.402 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.9 t -110.53 121.0 44.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.227 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.61 15.62 6.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 tp -68.62 136.02 52.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.443 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.4 p -86.93 162.24 17.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 5.5 pttp -69.77 -29.07 66.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -47.59 75.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.271 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 2.9 m120 -68.03 -44.29 76.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -66.7 -36.2 81.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.534 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.6 tm? -69.13 -43.75 73.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -63.65 -44.67 93.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.488 ' CB ' HD22 ' A' ' 78' ' ' LEU . 5.8 mt-30 -70.4 -44.94 66.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.436 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.8 mm -61.52 -45.38 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.534 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 35.7 m -63.88 -34.21 77.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.2 m120 -84.83 -8.78 58.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.536 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.41 118.81 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.616 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 36.9 mt-30 -83.55 162.27 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.459 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -147.59 157.33 44.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.0 -6.39 18.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.603 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.47 -106.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.427 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -171.03 143.33 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -89.17 117.32 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.378 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.403 HD12 ' ND2' ' A' ' 40' ' ' ASN . 1.2 tp -92.26 -55.48 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.47 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 40.1 t80 -137.23 152.68 50.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -138.32 117.7 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -118.16 128.43 54.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 39.1 mt -128.37 115.31 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.4 ' SG ' ' CG1' ' A' ' 110' ' ' VAL . 46.9 t -127.53 137.02 52.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.354 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.456 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 17.5 ttt180 -103.98 141.75 35.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -141.21 133.57 28.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.429 ' N ' HD23 ' A' ' 50' ' ' LEU . 3.8 mm? -98.83 135.09 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.44 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 54.4 m170 -81.32 154.32 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -74.3 -6.67 49.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.346 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -86.17 1.39 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.61 3.83 88.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 12.8 pt-20 -96.51 133.05 25.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 148.56 35.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.072 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.45 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 5.8 t-80 -141.0 151.08 43.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.528 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.456 ' CD2' ' HG3' ' A' ' 48' ' ' ARG . 0.7 OUTLIER -128.71 140.17 51.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -124.06 140.07 53.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.599 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.503 HD13 ' CE1' ' A' ' 18' ' ' TYR . 58.6 mt -143.08 139.28 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.33 109.92 7.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.424 ' N ' HD23 ' A' ' 61' ' ' LEU . 3.1 mt -115.71 150.24 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.11 116.48 13.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.262 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -90.63 156.76 17.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.22 -33.88 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.37 158.03 19.66 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -59.32 113.82 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.483 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 4.1 t80 -92.35 138.8 31.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.401 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.64 107.19 19.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.1 t -105.79 70.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.531 1.144 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.2 t -93.2 29.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -159.25 120.41 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 21.8 mt-30 -87.16 42.65 1.04 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -116.78 -19.55 9.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.616 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.7 t80 -76.83 -39.24 51.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.494 ' CD2' HG12 ' A' ' 91' ' ' ILE . 27.4 m-85 -87.97 12.64 12.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -66.92 107.35 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.526 ' CD1' ' OH ' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -106.85 137.07 45.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.555 HG12 ' CD2' ' A' ' 86' ' ' HIS . 2.4 m -122.52 164.59 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 21.2 t -85.31 118.71 71.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.42 13.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.598 1.841 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 p -112.86 -20.71 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' SER . 2.6 ttt180 -133.56 144.51 49.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -76.7 55.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.8 140.23 51.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.555 ' CD2' HG12 ' A' ' 79' ' ' VAL . 27.0 m170 -107.59 147.93 29.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.564 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 22.2 m-85 -126.23 136.03 52.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.79 100.98 48.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.01 160.63 39.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -92.19 115.48 28.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.494 HG12 ' CD2' ' A' ' 76' ' ' PHE . 10.1 mt -86.91 127.56 40.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.15 132.91 38.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.88 114.49 4.57 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.564 HG23 ' CZ ' ' A' ' 116' ' ' PHE . 16.0 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -50.39 71.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.4 t -57.93 -49.32 77.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.949 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -62.39 -35.45 79.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 26.2 mt -67.22 -31.22 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.062 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.18 -29.27 60.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -74.67 69.56 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -83.09 172.16 12.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.39 96.7 0.14 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 61.44 34.48 18.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 0.0 109.368 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.4 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 1.0 OUTLIER -120.09 166.82 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.434 ' HB2' ' CD ' ' A' ' 25' ' ' LYS . 5.4 tt -104.66 143.93 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.416 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -127.74 129.94 47.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.221 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.605 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 18.5 t90 -138.24 152.26 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.605 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 63.49 -178.82 6.5 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -124.28 124.02 41.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 0.814 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.582 ' CE1' ' HG2' ' A' ' 63' ' ' GLN . 19.1 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 9.6 t80 -74.69 102.12 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 111.082 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.96 111.46 11.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.517 HD12 ' CZ ' ' A' ' 7' ' ' PHE . 19.8 mt -108.42 139.55 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.83 111.37 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.5 163.23 27.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -88.23 -25.83 22.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 7.4 m-80 -117.93 131.37 56.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 11.8 m-85 -126.42 142.82 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.593 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 20.8 m-85 -120.39 122.94 41.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.538 HD12 ' CD2' ' A' ' 76' ' ' PHE . 1.7 mm? -104.68 129.62 52.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.408 HG23 ' NE2' ' A' ' 57' ' ' HIS . 2.1 m -113.99 121.54 44.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 17.7 m-85 -111.95 102.96 54.81 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.468 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.03 136.89 20.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER 38.03 51.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.368 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.445 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 13.8 t -106.64 123.15 47.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -86.31 11.61 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 tp -71.34 134.21 46.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.478 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 9.2 p -85.13 159.22 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' A' ' 111' ' ' LEU . 0.7 OUTLIER -67.1 -29.45 69.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.06 -47.88 72.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.478 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 5.2 m120 -66.45 -43.27 86.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -65.81 -36.03 82.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.543 ' HG ' ' CD1' ' A' ' 111' ' ' LEU . 0.4 OUTLIER -69.22 -41.89 76.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -68.1 -45.33 74.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.478 ' CB ' HD22 ' A' ' 78' ' ' LEU . 58.3 mt-30 -66.98 -47.59 71.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 3.5 mm -63.76 -45.43 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.23 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 23.8 m -61.87 -33.84 74.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -84.38 -9.49 58.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.175 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -74.62 118.83 18.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.611 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.6 OUTLIER -79.08 162.5 25.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.491 ' OG1' HG23 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.47 156.95 45.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.345 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -74.93 -7.48 19.26 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.57 1.827 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -110.62 -107.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.39 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.585 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.9 OUTLIER -168.32 132.36 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 6.5 mtpp -87.07 118.67 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.44 -84.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.382 1.052 . . . . 0.0 109.354 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 56.2 t80 -103.71 156.15 18.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' C ' ' A' ' 43' ' ' PHE . 87.6 mt -143.82 115.89 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 26.1 tptp -123.06 127.53 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 4.9 mt -126.12 115.62 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.418 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 27.2 t -116.06 138.95 50.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.343 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -96.87 141.52 29.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -149.47 134.26 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -98.7 135.85 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.6 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 59.5 m170 -82.71 156.99 23.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.653 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.52 -5.51 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -80.8 1.59 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.78 -0.5 86.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -96.12 137.94 21.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.44 0.729 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 123.34 7.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.6 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 4.3 t-80 -110.24 155.05 22.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -127.08 138.36 53.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.445 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -117.88 137.05 53.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.4 137.19 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.593 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 tm? -138.71 110.47 7.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.01 151.18 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' CG ' ' HB3' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -136.09 116.57 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -91.61 154.42 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -33.83 74.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.35 156.87 17.75 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -58.82 112.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 0.731 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.598 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 5.8 t80 -90.74 142.45 27.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.53 110.73 23.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 8.9 t -105.79 68.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.7 t -96.87 31.55 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 110.333 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -162.21 123.31 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.453 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 1.3 pt20 -89.83 38.08 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -115.45 -17.94 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.247 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 9.6 t80 -76.99 -38.85 52.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CD2' HD12 ' A' ' 16' ' ' LEU . 14.8 m-85 -88.31 13.01 12.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -66.44 106.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.513 ' CD1' ' OH ' ' A' ' 18' ' ' TYR . 1.1 mt -108.07 138.37 44.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.564 HG12 ' CD2' ' A' ' 86' ' ' HIS . 1.9 m -122.66 165.15 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 34.0 t -84.87 118.99 72.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.937 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.98 14.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.3 p -112.92 -20.59 11.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 80' ' ' SER . 7.1 ttm180 -133.64 144.93 49.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.93 55.53 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.74 142.79 51.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.564 ' CD2' HG12 ' A' ' 79' ' ' VAL . 27.6 m170 -108.5 147.67 31.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.586 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 19.8 m-85 -126.28 132.0 51.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.53 100.95 44.23 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.577 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.575 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.09 163.07 35.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -91.42 124.23 35.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 48.4 mt -83.83 126.23 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -135.39 132.27 37.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.07 113.78 4.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.424 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 17.7 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -39.61 81.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -45.0 86.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -70.74 -33.67 71.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 77.5 mt -67.82 -33.53 62.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.6 -22.9 59.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -74.97 68.28 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -82.67 154.05 25.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 148.46 100.31 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 33.6 m-20 64.29 36.18 9.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 108' ' ' GLY . 2.7 m -122.41 168.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.543 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -129.28 119.37 23.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -105.91 145.81 30.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.434 ' N ' ' HG2' ' A' ' 112' ' ' GLU . 12.4 t90 -140.5 140.8 35.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 108.035 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.47 -171.59 54.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -123.81 127.42 48.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 0.747 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.463 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 19.0 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.0 t80 -78.61 102.17 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.406 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.94 116.06 15.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 22.7 mt -112.56 136.61 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 112.13 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.16 163.48 28.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.258 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -34.69 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -113.96 144.73 42.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 8.6 m-85 -132.94 143.49 49.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 15.2 m-85 -120.72 119.52 33.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -104.47 134.21 48.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.524 HG23 ' CD2' ' A' ' 57' ' ' HIS . 91.6 m -123.14 137.71 54.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.44 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 1.8 m-85 -123.5 101.95 36.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.9 21.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt 39.54 47.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.8 t -107.08 123.46 48.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.94 14.65 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.04 135.19 47.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.456 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.0 p -86.91 163.11 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.54 -29.34 65.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -47.38 74.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.456 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.4 m120 -67.29 -43.62 81.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' O ' ' HB ' ' A' ' 32' ' ' ILE . . . -67.23 -36.98 82.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.487 ' HG ' ' CD2' ' A' ' 111' ' ' LEU . 0.8 OUTLIER -68.98 -43.74 74.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.408 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 42.6 m -63.76 -45.19 90.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' CB ' HD22 ' A' ' 78' ' ' LEU . 37.4 mt-30 -68.34 -47.09 68.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.504 ' O ' ' HE2' ' A' ' 41' ' ' LYS . 9.6 mm -61.76 -44.97 99.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 99.9 m -62.31 -32.27 72.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.4 m120 -87.64 -8.09 56.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -73.9 117.72 16.01 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.607 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.8 mt-30 -81.21 160.5 24.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.495 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -148.87 156.81 40.98 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.0 -1.84 11.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.575 1.829 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.617 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -117.94 -108.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.617 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t30 -172.32 143.65 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -90.1 117.54 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.43 HD11 ' ND2' ' A' ' 40' ' ' ASN . 0.8 OUTLIER -87.31 -61.12 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 62.5 t80 -137.49 158.37 44.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.7 mt -136.72 129.35 44.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 3.0 tmtt? -127.4 110.56 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 53.2 mt -116.26 116.29 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.82 132.81 47.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.268 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 141.85 29.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 57' ' ' HIS . 26.3 tp10 -148.93 134.32 18.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.41 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 7.6 mp -97.22 135.27 39.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.549 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 54.8 m170 -82.65 157.63 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -5.71 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -81.32 -0.45 41.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.77 2.92 90.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -96.14 133.69 24.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 0.789 . . . . 0.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 123.58 7.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.549 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 1.7 t-80 -120.85 155.62 33.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 tt -135.41 143.23 45.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.438 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -116.09 150.6 37.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.581 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.4 mt -142.6 137.02 28.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.556 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -138.16 110.4 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.426 ' N ' HD21 ' A' ' 61' ' ' LEU . 4.0 mt -121.09 149.98 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.217 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.551 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.85 116.96 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.329 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -91.36 156.46 17.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 111.049 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -33.66 74.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.23 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.6 156.47 18.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -59.19 118.91 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.447 0.733 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.425 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 7.4 t80 -97.41 142.4 29.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.55 111.11 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.2 t -105.49 69.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 108.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.406 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.9 t -98.84 33.2 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -170.59 113.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.232 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.44 ' HB3' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -79.58 50.11 1.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.6 mmm-85 -116.29 -24.01 8.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.0 t80 -76.41 -38.35 55.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -88.08 12.92 12.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 75.2 m-20 -66.36 106.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.487 HD22 ' CB ' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -108.4 136.54 47.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.542 HG13 ' CD2' ' A' ' 86' ' ' HIS . 4.0 m -124.22 164.66 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.505 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 8.2 t -85.25 119.61 72.54 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.87 14.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -20.41 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.474 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.7 tpp180 -133.37 143.78 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.1 t -76.73 55.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.5 141.14 51.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.542 ' CD2' HG13 ' A' ' 79' ' ' VAL . 25.5 m170 -107.86 145.9 33.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.398 1.061 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 80' ' ' SER . 12.1 m-85 -126.52 132.88 51.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -114.69 101.91 54.59 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.591 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.567 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.03 166.18 29.71 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -87.26 123.36 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 73' ' ' GLN . 9.6 mt -89.09 128.37 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -135.35 132.95 38.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.194 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.4 114.25 4.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.324 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.513 HG23 ' CZ ' ' A' ' 116' ' ' PHE . 15.7 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -44.87 89.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.5 m -57.86 -49.3 77.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.418 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 70.3 t80 -63.8 -34.76 78.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.525 HD11 ' CE2' ' A' ' 116' ' ' PHE . 82.5 mt -68.94 -38.16 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -25.09 66.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -74.83 71.71 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -82.81 177.41 8.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 138.23 90.31 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.8 OUTLIER 63.49 37.62 10.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -116.4 161.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.487 ' CD2' ' HG ' ' A' ' 29' ' ' LEU . 5.1 tt -105.03 121.9 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -113.14 134.66 54.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 110.335 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.548 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 9.6 t90 -140.88 144.62 35.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 107.99 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.548 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 73.66 -177.2 44.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.76 119.07 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CE2' ' HG2' ' A' ' 63' ' ' GLN . 11.9 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.0 t80 -78.91 102.51 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.51 113.59 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.413 HD12 ' CZ ' ' A' ' 7' ' ' PHE . 44.3 mt -106.8 133.63 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.61 111.96 10.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.42 163.35 27.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.75 -33.6 30.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -114.42 146.06 41.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.2 m-85 -132.24 144.13 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CE2' HD21 ' A' ' 61' ' ' LEU . 14.0 m-85 -120.08 121.76 39.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -104.9 133.83 49.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' CD2' ' A' ' 57' ' ' HIS . 60.9 m -124.02 117.98 25.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.581 ' CE1' HD12 ' A' ' 60' ' ' ILE . 13.8 m-85 -106.65 102.42 41.59 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.05 137.05 21.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' PRO . 11.3 tttt 39.15 44.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.502 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.3 t -102.3 121.07 41.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.095 . . . . 0.0 108.254 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.72 13.89 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 tp -71.04 135.67 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.422 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.2 p -86.78 164.97 16.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.87 -27.93 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.462 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 6.6 mt-10 -66.02 -48.57 70.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.422 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 8.2 m120 -67.07 -44.31 80.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.47 -34.12 76.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.508 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -68.91 -44.31 73.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.407 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 74.8 m -67.86 -45.27 75.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.092 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.505 ' CB ' HD23 ' A' ' 78' ' ' LEU . 10.6 mt-30 -66.1 -47.53 73.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.2 mm -64.86 -45.76 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 43.0 m -62.49 -38.71 90.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.7 m120 -81.28 -9.34 59.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.555 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.49 118.72 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.632 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.6 tm0? -82.22 162.78 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.064 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.488 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -146.8 158.9 45.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.401 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -75.02 -4.15 14.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.757 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -116.43 -107.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.407 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.585 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.3 t30 -169.88 141.08 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -90.79 120.45 31.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tp -92.5 -57.68 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.379 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 58.1 t80 -138.48 158.62 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.2 mt -137.66 121.5 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HG2' ' CE2' ' A' ' 103' ' ' TYR . 10.7 tptt -114.17 124.67 52.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.49 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 30.8 mt -129.79 116.16 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 55.8 m -130.2 137.2 49.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.249 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.4 143.79 27.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' HIS . 9.0 tp10 -145.63 133.52 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 1.0 OUTLIER -98.21 135.23 40.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.458 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 20.6 m170 -89.39 156.8 18.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.18 -6.55 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -83.28 -4.63 58.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.92 0.18 81.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -96.3 126.23 44.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 110.286 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.66 8.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 3.5 t-80 -118.47 156.39 29.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 5.0 tt -135.39 143.0 45.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.421 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -116.93 144.88 44.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.598 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.581 HD12 ' CE1' ' A' ' 18' ' ' TYR . 42.3 mt -142.42 137.62 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 15' ' ' PHE . 1.2 tm? -136.18 110.2 8.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.445 ' N ' HD23 ' A' ' 61' ' ' LEU . 3.0 mt -115.36 151.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.509 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.7 116.34 13.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.07 . . . . 0.0 110.342 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -91.43 156.46 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.32 -33.94 74.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.5 155.64 18.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -59.24 112.84 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.415 ' CE1' ' CD ' ' A' ' 38' ' ' PRO . 6.5 t80 -91.03 142.35 27.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.97 106.35 17.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 12.6 t -102.74 70.39 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.147 . . . . 0.0 108.253 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.3 t -94.95 30.62 2.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 110.447 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -161.94 117.88 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.521 ' HG3' ' CE2' ' A' ' 7' ' ' PHE . 9.0 mt-30 -86.74 43.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.228 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -117.18 -20.0 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.632 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.8 -38.74 53.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -87.79 12.2 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -66.91 108.22 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.505 HD23 ' CB ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -109.24 137.1 47.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.548 ' CG1' ' CG ' ' A' ' 86' ' ' HIS . 4.4 m -126.11 164.61 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 9.7 t -85.16 118.88 71.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -2.26 12.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.2 p -113.67 -21.01 10.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.356 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 4.3 ttm180 -134.08 144.92 48.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.253 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.35 54.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.945 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.71 125.27 39.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.548 ' CG ' ' CG1' ' A' ' 79' ' ' VAL . 19.3 m170 -95.33 147.73 23.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.661 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 21.5 m-85 -126.23 131.22 51.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.71 101.24 42.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.48 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.94 158.11 42.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.75 121.79 32.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.431 ' CD1' ' HG2' ' A' ' 73' ' ' GLN . 7.1 mt -88.77 128.61 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.231 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -135.45 133.16 38.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.342 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.4 113.89 4.5 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.1 tptt -61.28 -40.94 95.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 t -57.81 -45.47 86.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.978 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.47 ' CE2' ' HG2' ' A' ' 45' ' ' LYS . 22.1 t80 -69.68 -33.4 72.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.566 HD11 ' CD2' ' A' ' 116' ' ' PHE . 66.2 mt -67.49 -36.21 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.92 -25.91 66.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -74.44 71.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.99 -172.94 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 114.0 101.14 2.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 2.2 m-20 63.42 43.64 5.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -131.29 166.98 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.48 ' C ' ' CD2' ' A' ' 111' ' ' LEU . 1.1 tt -131.45 113.94 14.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -113.07 145.08 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.622 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 20.4 t90 -131.14 154.69 48.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.614 1.196 . . . . 0.0 108.039 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.622 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 70.7 -174.69 38.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -124.31 119.56 29.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CD2' HD11 ' A' ' 104' ' ' ILE . 6.5 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.539 ' CE1' HD13 ' A' ' 9' ' ' ILE . 30.7 t80 -76.16 102.57 5.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.8 113.91 13.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.539 HD13 ' CE1' ' A' ' 7' ' ' PHE . 57.9 mt -111.87 135.58 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -134.52 109.94 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.165 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.46 163.63 27.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -21.35 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -117.17 134.62 54.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.578 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 4.5 m-85 -131.04 137.16 49.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 23.8 m-85 -120.29 124.62 46.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.77 129.37 53.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.8 m -119.46 118.23 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 4.4 m-85 -108.95 104.24 54.32 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.05 136.52 20.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.442 1.759 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 39.79 48.14 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -105.36 122.12 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.88 14.6 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 tp -70.9 134.69 47.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.428 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.4 p -86.83 162.45 17.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.396 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.16 -27.57 64.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -66.27 -47.79 72.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.299 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.428 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.1 m120 -68.05 -43.74 77.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.72 -32.26 72.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -69.15 -44.15 72.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.407 ' N ' HD13 ' A' ' 29' ' ' LEU . 61.5 m -69.66 -43.49 72.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.506 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 14.8 mt-30 -66.18 -48.02 72.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.2 mm -65.29 -45.74 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 52.5 m -64.19 -33.38 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.38 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -85.51 -10.34 56.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.572 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -73.54 118.93 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.371 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.618 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.1 mt-30 -79.29 162.17 25.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.482 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -147.91 158.61 42.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 -6.2 17.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.599 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -114.13 -107.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.378 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.599 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -168.68 139.89 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 4.5 mtpm? -91.08 126.68 36.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.54 -86.81 0.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.546 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 60.6 t80 -103.27 156.26 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.3 mt -138.02 120.23 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -113.58 109.22 18.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.422 ' O ' ' HB ' ' A' ' 110' ' ' VAL . 62.9 mt -115.96 114.41 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.1 m -131.3 138.47 49.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 108.295 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -100.57 142.85 31.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -136.88 134.56 36.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -98.19 135.25 40.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.419 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 23.1 m170 -88.85 155.62 19.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.647 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -77.01 -6.13 51.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.228 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.38 -4.61 57.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.68 -1.47 78.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -96.41 132.56 26.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.308 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.37 11.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 6.1 t-80 -112.68 152.86 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.431 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -130.44 141.12 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.431 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -126.14 141.59 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.616 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.494 HD13 ' CZ ' ' A' ' 18' ' ' TYR . 50.3 mt -142.04 139.63 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 tm? -138.66 111.05 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.434 ' N ' HD23 ' A' ' 61' ' ' LEU . 1.5 mt -114.97 149.74 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.545 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.88 116.19 13.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.243 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -91.48 156.89 17.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -33.37 73.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.51 157.47 19.62 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.542 1.151 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -58.78 119.6 7.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 0.729 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 5.0 t80 -97.93 142.1 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.418 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.46 106.2 18.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.195 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.536 ' CB ' ' CZ ' ' A' ' 14' ' ' TYR . 49.2 t -98.88 67.81 1.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.5 t -96.89 31.79 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -161.39 117.37 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -87.77 37.35 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.379 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -115.2 -20.61 10.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.618 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.4 t80 -76.15 -37.71 57.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.547 ' CD2' HG12 ' A' ' 91' ' ' ILE . 32.1 m-85 -88.35 12.38 14.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -66.78 110.0 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.506 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.4 mt -110.04 136.91 48.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.47 HG12 ' CG ' ' A' ' 86' ' ' HIS . 4.0 m -123.67 164.68 21.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.47 ' O ' ' O ' ' A' ' 83' ' ' ARG . 22.7 t -85.17 119.01 72.0 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -8.49 20.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -18.38 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 80' ' ' SER . 12.7 ttt180 -132.97 142.99 49.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.05 55.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.73 142.5 50.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.47 ' CG ' HG12 ' A' ' 79' ' ' VAL . 26.8 m170 -108.59 147.23 32.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.685 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 20.4 m-85 -126.09 133.84 51.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.35 100.84 43.17 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.553 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.57 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.06 160.77 39.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -101.02 120.72 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.547 HG12 ' CD2' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -87.41 128.78 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -135.41 133.34 38.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.04 122.76 7.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -38.54 79.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -57.72 -46.63 84.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -71.45 -33.71 69.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.07 -32.95 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.39 -24.59 64.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -74.88 69.21 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -83.0 -172.96 4.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.17 81.92 0.65 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.3 67.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.772 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 1.2 m -140.89 163.58 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 112' ' ' GLU . 5.6 tt -104.86 147.6 27.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.419 ' N ' HD22 ' A' ' 111' ' ' LEU . 10.0 mt-10 -131.74 124.15 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.664 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 14.4 t90 -134.08 153.54 51.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 108.001 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.664 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.73 176.64 3.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.44 1.088 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.36 122.69 38.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.386 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.546 ' HB2' ' CG ' ' A' ' 43' ' ' PHE . 5.3 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 12.1 t80 -78.27 102.72 7.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.31 110.3 10.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.954 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.498 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 60.3 mt -103.98 134.56 44.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.96 111.78 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.21 163.65 28.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 64' ' ' PHE . 12.0 ttmt -83.67 -31.93 25.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -114.45 146.88 40.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 4.1 m-85 -133.14 139.8 47.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.531 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 17.6 m-85 -120.0 121.7 39.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -104.9 133.7 49.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 m -121.84 118.66 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.444 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 20.0 m-85 -107.77 102.96 47.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' C ' ' CG ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.05 129.9 12.73 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.472 1.775 . . . . 0.0 110.943 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' CG ' ' C ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 43.28 56.41 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.6 t -114.29 123.83 50.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -86.89 14.21 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.99 133.86 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.357 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 6.2 p -86.95 164.22 16.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.46 -28.31 63.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -48.89 73.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.426 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 6.1 m120 -67.25 -44.21 79.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.49 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.4 -33.4 75.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.4 tm? -69.34 -43.82 72.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -45.17 80.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.413 ' NE2' HD23 ' A' ' 78' ' ' LEU . 36.6 mt-30 -67.59 -48.59 66.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 7.3 mm -62.42 -45.8 97.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 69.0 m -63.23 -38.53 91.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.43 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -81.1 -9.16 59.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.61 118.82 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.4 pt20 -81.87 162.58 22.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.485 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -147.25 156.48 46.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.0 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.582 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -114.12 -107.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.582 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.5 OUTLIER -168.59 131.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.486 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 4.0 mtpp -80.41 120.87 25.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.457 ' CD1' ' OD1' ' A' ' 40' ' ' ASN . 1.0 OUTLIER -96.09 -85.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 48.1 t80 -102.64 154.67 18.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 99.7 mt -144.21 115.46 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.472 ' HE2' ' CG2' ' A' ' 110' ' ' VAL . 4.2 tttm -127.55 129.2 46.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 6.9 mt -125.88 116.59 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 39.3 t -122.58 136.37 54.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -100.23 143.18 30.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -138.23 133.45 33.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -98.49 135.23 40.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.425 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 31.7 m170 -88.04 154.33 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -73.97 -6.69 48.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -86.38 -0.85 56.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.42 5.82 84.49 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.442 1.089 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 16.2 pt-20 -96.37 125.92 45.77 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.506 0.768 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.67 8.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.459 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 6.3 t-80 -111.01 154.35 24.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.655 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.459 ' H ' ' CD2' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -131.84 135.53 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.436 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -116.88 142.94 46.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.559 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.459 HG12 ' CG2' ' A' ' 46' ' ' ILE . 7.9 mt -140.44 137.39 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.531 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.24 110.15 7.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.401 HG21 ' O ' ' A' ' 43' ' ' PHE . 6.3 mt -117.42 154.12 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -129.7 138.99 51.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.486 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 85.4 m-85 -116.74 148.02 41.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -33.52 74.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.19 157.15 20.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.33 109.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 0.728 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.542 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 5.1 t80 -87.69 136.58 32.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.69 111.29 23.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 31.2 t -107.73 70.4 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 108.329 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 71' ' ' THR . 0.6 OUTLIER -92.48 29.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -161.94 120.12 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.477 ' CB ' HD13 ' A' ' 91' ' ' ILE . 12.6 mt-30 -86.99 44.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.415 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -117.1 -18.24 10.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.364 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.5 t80 -77.28 -40.23 45.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -87.91 13.05 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.637 1.211 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.415 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.1 m-20 -66.64 110.43 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 ' CD1' ' OH ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -109.28 136.9 47.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.511 HG11 ' CE1' ' A' ' 86' ' ' HIS . 2.1 m -125.01 164.83 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 83' ' ' ARG . 42.7 t -85.08 117.68 69.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.95 17.44 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.24 -20.73 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 6.8 ttm180 -133.55 144.19 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -76.27 57.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.37 137.89 51.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.511 ' CE1' HG11 ' A' ' 79' ' ' VAL . 18.2 m170 -106.14 146.23 30.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 17.0 m-85 -126.19 130.35 50.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.9 101.34 43.91 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.98 159.48 41.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.803 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -87.17 122.58 31.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.477 HD13 ' CB ' ' A' ' 73' ' ' GLN . 62.0 mt -86.86 126.44 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -135.53 132.8 37.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.213 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.58 113.47 4.72 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.457 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 21.0 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -44.1 94.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.3 t -57.88 -47.33 83.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -68.03 -35.35 78.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.62 -35.56 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -72.11 -23.3 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -74.89 67.39 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.01 169.91 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.233 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 147.37 96.68 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.7 OUTLIER 62.23 34.59 15.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.736 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.472 ' CG2' ' HE2' ' A' ' 45' ' ' LYS . 1.4 m -122.35 166.46 17.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.407 HD21 ' N ' ' A' ' 112' ' ' GLU . 5.7 tt -105.14 146.7 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.407 ' N ' HD21 ' A' ' 111' ' ' LEU . 5.9 mt-10 -128.13 131.13 48.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.676 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 11.9 t90 -141.4 153.81 45.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.676 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.12 175.69 2.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.01 125.68 44.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 0.719 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.457 ' CZ ' HG22 ' A' ' 100' ' ' VAL . 14.0 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.8 t80 -74.13 102.71 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.23 110.49 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.1 mt -102.54 134.47 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.07 111.66 9.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.425 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . . . -162.41 163.47 27.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.61 -32.57 25.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -114.09 145.74 41.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -133.81 141.3 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 111.031 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 30.9 m-85 -120.14 121.68 39.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -104.17 134.19 47.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -121.65 118.45 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.511 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 17.6 m-85 -108.12 101.72 42.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.09 137.57 21.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.586 1.835 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.9 OUTLIER 39.2 47.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.498 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.3 t -105.74 120.62 42.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 108.289 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -86.81 14.29 7.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.597 1.186 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 tp -70.27 136.32 49.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.423 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 6.3 p -86.57 164.54 16.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.371 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -71.11 -28.64 64.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.17 -49.13 70.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.423 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 7.7 m120 -65.7 -43.99 87.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.75 -32.45 72.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 33' ' ' THR . 0.6 OUTLIER -69.24 -45.03 70.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m -68.66 -43.11 76.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 28.6 mt-30 -66.55 -48.12 70.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 28' ' ' ALA . 10.2 mm -65.12 -46.14 92.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 54.9 m -62.65 -35.2 78.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -83.59 -9.69 58.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.33 118.78 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.621 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.8 pt20 -80.3 161.98 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.456 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.42 155.24 45.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 17.9 Cg_endo -75.06 -6.36 17.93 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.515 1.798 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.597 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -111.25 -108.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.597 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.6 OUTLIER -169.91 134.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 9.4 mttp -84.83 116.7 23.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.235 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.36 -63.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.526 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 62.1 t80 -137.36 160.88 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.4 mt -136.27 132.16 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -123.12 106.17 10.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 41.0 mt -112.32 116.19 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.6 t -127.14 140.07 52.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -96.59 142.51 28.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.222 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 57' ' ' HIS . 21.0 tt0 -133.52 140.47 47.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -126.69 135.55 51.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.439 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 22.7 m170 -95.11 155.29 16.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.118 . . . . 0.0 109.591 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -77.11 -6.59 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.23 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.27 -3.28 58.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.35 4.98 73.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 19.0 pt-20 -96.29 120.52 62.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 110.291 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.88 37.32 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.427 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 7.6 t-80 -141.15 152.64 44.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.567 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.425 ' H ' ' CD2' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -133.13 136.94 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.427 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -117.67 141.25 48.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.658 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 mt -141.88 134.73 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.445 1.091 . . . . 0.0 109.381 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -138.46 110.27 7.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -116.11 152.28 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.577 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.95 115.41 12.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -91.35 155.51 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.33 -33.81 75.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.02 156.03 18.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -59.35 111.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 0.803 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.512 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 3.6 t80 -89.74 140.13 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.67 116.19 30.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.4 t -113.14 69.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 71' ' ' THR . 0.2 OUTLIER -91.45 22.07 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 110.392 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -154.27 120.3 5.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 26.8 mt-30 -86.55 44.02 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.412 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -118.39 -16.68 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.621 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.7 t80 -77.45 -40.32 43.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -88.15 12.34 13.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.412 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 56.4 m-20 -69.95 106.49 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -102.43 136.36 42.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.543 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.4 m -123.61 163.63 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.9 t -86.0 118.34 70.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -113.2 -20.66 11.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 21.3 tpp85 -133.52 144.51 49.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 0.0 110.324 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.44 56.62 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.96 136.1 49.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.543 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 25.4 m170 -108.68 147.1 32.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -126.34 133.86 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.88 101.28 49.25 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.511 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.93 160.28 40.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.38 122.9 31.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 31.4 mt -87.46 128.39 40.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -135.51 132.94 37.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.92 114.09 4.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.571 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 15.6 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -64.16 -44.63 91.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.99 -48.28 80.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.947 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -66.92 -34.99 78.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.653 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 24.6 mt -64.61 -34.86 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -33.9 74.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -75.06 75.05 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -83.06 178.27 8.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.52 97.18 0.2 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.634 1.208 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.38 34.28 18.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.81 164.58 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 112' ' ' GLU . 5.3 tt -104.91 145.52 30.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.424 ' N ' HD22 ' A' ' 111' ' ' LEU . 33.4 mt-10 -130.03 122.36 28.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.556 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.4 t90 -130.48 150.85 51.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.556 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.07 -177.81 18.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.16 116.78 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.414 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.653 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 3.9 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.579 ' CE1' HD12 ' A' ' 9' ' ' ILE . 27.4 t80 -77.57 101.83 6.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.428 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.1 p -133.6 116.15 15.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.579 HD12 ' CE1' ' A' ' 7' ' ' PHE . 54.2 mt -109.13 133.79 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.23 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -134.98 111.19 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.43 163.65 27.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 109.372 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -85.69 -25.3 26.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' HG3' ' A' ' 12' ' ' LYS . 17.0 m-80 -120.5 139.74 52.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.521 ' CE1' HG22 ' A' ' 9' ' ' ILE . 11.6 m-85 -133.05 143.5 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.576 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 23.6 m-85 -119.92 122.06 40.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.416 HD12 ' CE2' ' A' ' 76' ' ' PHE . 1.1 mm? -104.55 130.43 52.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.01 130.39 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 24.9 m-85 -117.22 103.02 52.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 133.76 17.0 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 56' ' ' PRO . 38.5 tttt 39.48 52.98 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.396 1.06 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -112.4 121.88 46.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 108.327 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.99 15.16 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 tp -69.37 135.87 50.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.439 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 6.7 p -86.79 162.16 17.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' CB ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.59 -28.69 65.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.72 -48.08 75.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.439 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 1.9 m120 -68.19 -44.66 75.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.24 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 111' ' ' LEU . 1.0 OUTLIER -69.22 -38.19 78.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -67.4 -45.81 75.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 2.5 mt-30 -70.42 -45.97 64.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.454 ' CG2' HD11 ' A' ' 62' ' ' ILE . 14.6 mm -61.62 -44.69 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.434 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 52.3 m -65.31 -39.12 92.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.46 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -81.1 -8.02 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.539 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -73.86 118.08 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.607 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 11.3 pt20 -77.93 162.55 26.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.444 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -147.36 160.36 39.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.97 -24.76 12.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.47 -101.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.581 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -171.45 143.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.408 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 3.6 mtpm? -91.11 126.98 36.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 tp -103.87 -85.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -103.42 158.69 16.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -141.87 130.2 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -126.93 111.77 14.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.471 HG21 ' CB ' ' A' ' 25' ' ' LYS . 39.1 mt -121.04 115.01 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 t -134.27 138.55 45.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.238 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -97.05 143.42 27.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 57' ' ' HIS . 11.4 tp10 -140.23 133.9 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 50' ' ' LEU . 1.5 mm? -97.22 134.93 39.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -88.63 156.33 19.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -75.25 -6.8 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -84.64 0.03 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 2.09 89.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.46 125.06 48.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.98 123.86 8.21 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' A' ' 49' ' ' GLU . 4.8 t-80 -118.48 156.92 28.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tt -132.28 140.25 48.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.438 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -112.81 141.78 46.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.538 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.7 mt -142.19 135.59 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.576 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 tm? -138.25 110.4 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.454 HD11 ' CG2' ' A' ' 32' ' ' ILE . 3.7 mt -116.96 149.22 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.431 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -135.71 118.64 16.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -91.49 158.26 16.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.25 -34.02 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.54 162.9 22.15 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -58.78 111.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.494 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 1.9 t80 -88.12 141.25 28.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.35 111.53 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.41 ' HB2' ' CE2' ' A' ' 68' ' ' TYR . 6.1 t -112.91 70.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.248 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.428 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.7 t -94.7 31.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -157.69 125.39 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.482 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 19.9 mt-30 -91.48 36.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -116.67 -16.34 10.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 9.9 t80 -76.55 -39.41 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' A' ' 16' ' ' LEU . 20.9 m-85 -87.83 12.71 12.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.18 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -66.75 106.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -106.71 136.96 45.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.491 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.7 m -122.47 165.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 83' ' ' ARG . 40.1 t -84.79 118.87 71.95 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 -4.49 15.46 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.0 p -113.2 -20.98 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 80' ' ' SER . 5.9 ttm180 -133.77 145.65 50.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.34 54.93 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 109.966 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.24 132.42 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.491 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 21.9 m170 -102.17 146.04 28.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.576 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -126.29 137.09 53.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 100.67 53.81 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.609 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.532 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.07 160.75 39.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.33 125.27 34.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 72.3 mt -88.4 127.52 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -135.42 132.94 38.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.0 113.84 4.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -42.39 89.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -49.45 76.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.18 -35.21 80.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.552 HD13 ' CE2' ' A' ' 116' ' ' PHE . 74.9 mt -68.04 -35.66 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -23.68 61.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -74.91 67.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -83.02 167.51 17.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 144.16 74.57 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 2.1 m-20 77.49 62.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.777 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -140.82 163.39 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.478 ' CD2' ' HG ' ' A' ' 29' ' ' LEU . 3.7 tt -105.02 114.76 29.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -108.65 135.64 49.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 5.5 t90 -138.49 146.18 41.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.167 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.636 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.54 -176.84 18.71 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -123.98 128.7 49.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.39 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.552 ' CE2' HD13 ' A' ' 104' ' ' ILE . 5.0 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.556 ' CE1' HD12 ' A' ' 9' ' ' ILE . 11.1 t80 -79.21 102.86 8.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.21 110.93 10.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.948 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 7' ' ' PHE . 37.6 mt -106.52 134.16 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.45 110.4 9.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.37 163.82 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -86.69 -24.19 25.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -114.72 137.03 52.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.062 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.7 m-85 -133.63 136.1 44.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.574 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 51.5 m-85 -120.3 127.7 52.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.538 HD13 ' CG ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -105.36 133.08 50.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.414 ' CG2' ' NE2' ' A' ' 57' ' ' HIS . 91.5 m -120.75 117.93 28.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.366 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.466 ' HB3' ' CB ' ' A' ' 21' ' ' CYS . 13.4 m-85 -109.78 102.97 52.14 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.96 136.44 20.49 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.54 1.811 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.6 tttp 39.73 48.62 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.195 . . . . 0.0 109.376 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.2 t -106.4 118.61 37.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 108.312 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.11 15.29 6.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 tp -65.85 137.2 57.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.234 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.44 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 9.8 p -83.83 163.94 19.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' CG ' ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.82 -30.13 66.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -66.52 -42.46 87.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 0.0 110.321 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.4 m120 -71.54 -42.89 67.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.496 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.78 -40.75 79.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.5 tm? -69.2 -41.69 76.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 17.9 t -67.43 -45.88 74.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 34.6 mt-30 -66.76 -48.27 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 mm -62.99 -45.86 97.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 52.9 m -63.77 -38.04 89.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.404 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.4 m120 -81.12 -10.02 59.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.565 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.62 118.95 18.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.636 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -81.46 163.02 23.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.481 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -146.67 157.08 48.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.481 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.03 -2.7 12.88 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.454 1.765 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.592 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -116.64 -107.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.592 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.6 t30 -169.52 139.77 2.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.469 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 9.3 mttp -90.92 152.34 20.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 65' ' ' GLU . 6.0 mp -130.77 -85.46 0.52 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 41.6 t80 -102.38 150.73 23.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.58 HD11 ' CE3' ' A' ' 113' ' ' TRP . 81.1 mt -140.06 116.75 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -116.95 120.74 39.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.487 ' CG2' ' CG ' ' A' ' 25' ' ' LYS . 54.2 mt -119.61 116.26 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.34 139.1 53.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 108.253 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -96.88 144.09 27.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -134.31 134.24 41.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -96.61 135.19 38.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -91.65 155.75 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 109.663 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -73.47 -6.81 48.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -88.35 -0.72 57.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.96 6.92 86.23 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -96.11 129.94 32.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.36 0.683 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 123.47 7.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.444 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 5.6 t-80 -111.76 150.44 30.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -126.46 141.59 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.451 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -122.32 146.26 47.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.531 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.3 mt -140.73 140.39 33.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.57 110.76 7.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.405 ' N ' HD23 ' A' ' 61' ' ' LEU . 2.2 mt -120.37 153.23 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.573 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.71 125.87 26.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.245 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -101.9 157.76 16.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.528 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 1.1 tm-20 -60.67 -34.06 73.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.69 157.86 21.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -59.25 117.1 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 0.816 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.434 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 4.4 t80 -92.27 142.54 27.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.47 106.54 18.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 7.3 t -101.68 68.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.332 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.4 t -94.87 30.52 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -163.49 116.12 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.478 ' HG3' ' CE2' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -84.67 44.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 2.4 mmm180 -117.85 -19.83 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.636 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.6 t80 -77.03 -39.48 49.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CG ' HD13 ' A' ' 16' ' ' LEU . 17.2 m-85 -88.26 12.47 13.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.41 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.1 m-20 -67.76 106.14 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -103.58 136.09 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.565 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.3 m -125.59 163.62 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 83' ' ' ARG . 22.8 t -86.12 118.36 70.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.446 1.761 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.84 -20.7 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 16.8 ttt180 -133.6 144.26 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.42 57.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.96 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.74 135.74 48.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.565 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 18.9 m170 -108.75 147.0 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -126.42 133.01 51.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -107.97 102.02 43.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.445 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.07 157.42 42.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.386 1.729 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.92 123.43 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.455 HD12 ' CG ' ' A' ' 73' ' ' GLN . 11.8 mt -86.87 128.27 39.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -135.19 132.98 38.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.56 123.12 7.83 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.538 0.787 . . . . 0.0 109.33 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -56.7 -40.26 75.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -45.44 85.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -71.33 -33.82 69.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 19.3 mt -59.98 -32.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.53 -29.87 70.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -74.16 71.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.06 -174.63 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.28 83.94 0.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.65 76.11 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 0.768 . . . . 0.0 109.249 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -140.9 163.4 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.44 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 5.9 tt -104.77 128.45 52.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -106.77 125.04 50.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.58 ' CE3' HD11 ' A' ' 44' ' ' ILE . 11.0 t90 -141.23 138.14 33.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.69 176.37 29.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -125.39 127.44 46.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 7.3 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.552 ' CE1' HD13 ' A' ' 9' ' ' ILE . 16.1 t80 -74.01 102.59 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.62 116.42 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.552 HD13 ' CE1' ' A' ' 7' ' ' PHE . 27.2 mt -107.18 135.14 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.84 110.97 9.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.53 27.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 64' ' ' PHE . 19.6 ttpt -85.78 -31.64 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.38 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -114.63 141.85 47.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.4 m-85 -132.96 142.33 48.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.573 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 20.4 m-85 -120.08 121.9 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.574 ' HG ' ' CD1' ' A' ' 76' ' ' PHE . 1.4 mm? -104.77 136.32 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.8 m -122.55 120.04 32.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 21.1 m-85 -106.85 102.2 41.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.97 132.61 15.67 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.452 1.764 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 13.2 pttt 37.35 52.16 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.486 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.7 t -106.92 125.37 50.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.81 12.93 9.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -71.16 135.51 47.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.471 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 6.8 p -86.92 161.2 18.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.143 . . . . 0.0 110.454 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.17 -28.75 65.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -47.74 72.74 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.471 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.6 m120 -66.32 -43.92 84.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -68.85 -34.03 74.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 1.095 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.26 -43.02 74.77 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.418 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -69.03 -44.93 71.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.11 . . . . 0.0 110.093 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.481 ' CB ' HD22 ' A' ' 78' ' ' LEU . 57.4 mt-30 -66.05 -48.83 69.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 3.6 mm -63.46 -45.68 97.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 52.3 m -65.05 -35.35 80.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.3 m120 -86.78 -4.53 59.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tp -74.91 141.06 44.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.7 OUTLIER -90.79 161.41 15.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.471 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.5 OUTLIER -149.58 150.63 31.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -3.76 14.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.529 1.805 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.587 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -118.05 -107.76 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.489 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.587 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t-20 -168.2 134.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.396 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.454 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 7.3 mtpp -84.58 118.44 24.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tp -90.63 -59.96 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 112' ' ' GLU . 66.1 t80 -137.44 157.69 46.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.03 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mt -137.96 128.37 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -123.01 123.95 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 18.3 mt -128.74 116.95 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.05 137.7 49.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.4 ' CD ' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -96.82 143.77 27.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 57' ' ' HIS . 7.4 tp10 -143.07 133.88 25.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -97.7 135.13 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -87.75 156.1 19.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.74 -6.83 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.79 0.22 53.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.86 4.08 88.92 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -96.35 130.15 31.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 123.58 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.064 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.455 ' O ' ' O ' ' A' ' 49' ' ' GLU . 5.7 t-80 -117.18 154.42 31.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.604 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD11 ' CD ' ' A' ' 48' ' ' ARG . 4.1 tt -136.57 142.11 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.422 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -117.53 146.01 43.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.645 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.0 mt -142.06 137.19 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.573 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -138.49 110.19 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.403 ' N ' HD22 ' A' ' 61' ' ' LEU . 5.3 mt -117.63 150.37 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.577 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.07 117.39 14.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.384 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.463 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 51.8 m-85 -91.14 155.79 18.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -33.62 73.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.21 162.84 18.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -59.21 112.44 1.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 0.792 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.494 ' CE1' ' O ' ' A' ' 69' ' ' ASN . 1.2 t80 -90.07 135.54 33.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.494 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -96.88 120.05 36.49 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.2 t -119.36 69.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 108.361 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.5 t -93.93 30.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -159.22 127.93 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.468 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 7.3 mt-30 -88.59 31.94 0.81 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 4.9 mmt85 -114.32 -9.6 12.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.0 t80 -77.42 -39.4 47.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.574 ' CD1' ' HG ' ' A' ' 16' ' ' LEU . 36.0 m-85 -91.7 14.5 15.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.454 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 60.3 m-20 -65.66 106.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.481 HD22 ' CB ' ' A' ' 31' ' ' GLN . 1.1 mt -111.13 137.73 48.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.501 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 3.7 m -122.57 164.2 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 14.8 t -85.55 118.42 70.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.26 12.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.458 1.768 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.8 p -114.45 -20.61 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' SER . 1.4 ttt180 -133.53 145.38 50.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.69 54.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.72 133.82 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.501 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 19.2 m170 -101.37 146.67 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.5 m-85 -126.29 137.75 53.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -121.83 100.03 43.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.57 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.06 166.19 29.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.969 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.83 127.45 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 14.2 mt -88.29 130.81 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.206 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -135.28 132.69 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.57 113.99 4.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.16 . . . . 0.0 111.044 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.464 0.744 . . . . 0.0 109.274 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.463 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 13.6 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -58.65 -45.87 88.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -50.35 73.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.507 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 15.7 t80 -62.74 -33.38 75.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.57 HD13 ' CE2' ' A' ' 116' ' ' PHE . 45.2 mt -67.38 -36.53 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.67 -20.55 64.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -74.9 68.58 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.63 163.96 21.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 136.97 98.65 0.51 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 60.4 m-20 63.14 49.77 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.529 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -136.07 166.57 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.529 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 0.5 OUTLIER -129.87 114.8 16.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 43' ' ' PHE . 2.1 pm0 -115.69 146.03 42.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.217 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 23.4 t90 -129.72 154.26 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.606 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 70.4 -172.84 41.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -124.16 122.75 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 110.358 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.577 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 19.9 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.534 ' CE1' HD12 ' A' ' 9' ' ' ILE . 16.6 t80 -78.41 103.71 8.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.54 110.97 10.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.534 HD12 ' CE1' ' A' ' 7' ' ' PHE . 24.5 mt -106.32 134.23 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.49 109.69 8.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.29 164.1 27.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -24.96 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.209 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 94' ' ' ALA . 5.6 m-80 -113.87 138.79 49.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CE1' HG21 ' A' ' 9' ' ' ILE . 13.2 m-85 -133.75 135.51 43.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.572 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 35.5 m-85 -120.69 122.71 41.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' CD2' HG22 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -103.68 138.33 40.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.6 m -125.95 119.78 28.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.499 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 12.4 m-85 -109.89 102.32 50.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 137.54 21.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER 38.32 46.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.3 t -105.52 120.96 42.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.409 1.068 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.99 14.96 6.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 tp -70.29 135.51 48.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.431 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.3 p -86.49 162.61 17.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.67 -28.93 65.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -47.95 75.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 2.1 m120 -67.77 -44.09 78.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.515 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -65.84 -38.84 89.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.5 tm? -69.24 -37.16 77.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.43 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 78.7 p -67.88 -45.84 73.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.462 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 41.0 mt-30 -71.16 -46.54 61.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 10.0 mm -61.75 -46.79 95.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.517 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 69.2 m -63.76 -35.27 80.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 30' ' ' SER . 61.1 m-20 -83.07 -10.4 58.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.63 118.78 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.661 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 4.1 mt-30 -82.07 162.24 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.505 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -147.44 157.15 45.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.07 -2.98 13.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.555 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -113.49 -108.74 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.555 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.8 OUTLIER -170.07 133.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 6.7 mtpp -87.52 126.95 35.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.506 ' CD1' ' OD1' ' A' ' 40' ' ' ASN . 1.7 mp -103.27 -87.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.525 ' CE2' HD13 ' A' ' 104' ' ' ILE . 57.2 t80 -102.71 156.0 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.585 HD13 ' CE3' ' A' ' 113' ' ' TRP . 82.9 mt -139.42 115.17 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.35 126.77 55.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 54.5 mt -129.26 115.46 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.9 t -123.82 136.91 54.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 108.327 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -101.48 142.65 32.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' A' ' 50' ' ' LEU . 8.6 tp10 -145.12 134.37 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.41 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 2.2 mm? -98.57 134.76 41.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.402 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 38.7 m170 -80.83 153.58 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.05 -6.96 50.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.612 1.195 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -84.69 -0.49 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.62 3.07 84.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.402 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 20.8 pt-20 -96.63 132.78 25.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.94 14.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.428 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 6.3 t-80 -120.71 153.21 37.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.637 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -131.77 138.81 48.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.433 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -121.01 135.46 55.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.617 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.433 HG22 ' CD2' ' A' ' 16' ' ' LEU . 15.3 mt -136.47 137.06 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.572 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.4 tm? -138.84 110.6 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.422 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.4 mt -114.99 151.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.574 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.78 129.62 32.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -103.94 156.51 17.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -61.48 -33.85 74.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.55 158.54 19.92 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -59.9 118.89 6.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -98.71 144.72 27.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.88 117.24 34.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.441 ' O ' ' CE2' ' A' ' 7' ' ' PHE . 5.9 t -111.53 70.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 71' ' ' THR . 0.6 OUTLIER -94.26 30.2 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -163.02 117.32 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.449 HE22 ' CD2' ' A' ' 88' ' ' HIS . 0.0 OUTLIER -87.05 44.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -118.33 -17.32 9.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.661 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 24.5 t80 -77.05 -39.15 51.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -87.85 12.8 12.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -66.93 105.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -107.04 139.5 41.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.555 HG13 ' CD2' ' A' ' 86' ' ' HIS . 2.3 m -123.25 163.92 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.4 t -85.78 118.83 71.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.415 1.745 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.9 p -111.59 -20.61 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.43 143.01 48.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.03 56.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.0 143.25 50.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.555 ' CD2' HG13 ' A' ' 79' ' ' VAL . 24.2 m170 -108.22 147.92 30.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.534 1.146 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 12.1 m-85 -126.17 131.55 52.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.449 ' CD2' HE22 ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.62 101.68 44.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.0 151.41 39.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.813 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -87.66 125.53 34.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -89.44 129.26 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.3 133.12 38.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.51 122.56 6.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.59 HG23 ' CZ ' ' A' ' 116' ' ' PHE . 5.7 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -55.16 -40.82 71.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.82 85.21 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.957 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -71.2 -32.96 69.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.525 HD13 ' CE2' ' A' ' 43' ' ' PHE . 90.7 mt -59.75 -34.36 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -32.27 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -72.09 66.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.11 -177.82 6.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.37 91.23 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 60.41 35.27 20.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.43 164.41 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.9 tt -105.41 148.98 26.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.29 131.67 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.585 ' CE3' HD13 ' A' ' 44' ' ' ILE . 5.2 t90 -141.23 154.53 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 108.028 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.583 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 64.64 177.71 5.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.7 m -126.44 130.1 50.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 0.818 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.59 ' CZ ' HG23 ' A' ' 100' ' ' VAL . 4.9 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.582 ' CZ ' HD12 ' A' ' 9' ' ' ILE . 9.8 t80 -78.75 102.42 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.442 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -132.7 113.67 13.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.582 HD12 ' CZ ' ' A' ' 7' ' ' PHE . 27.9 mt -108.53 133.8 52.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 111.18 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.24 28.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -84.31 -26.82 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.446 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 22.7 m-80 -118.37 142.18 47.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.52 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.9 m-85 -131.79 142.46 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 31.8 m-85 -120.11 123.66 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -104.94 132.94 50.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.546 HG21 ' CD2' ' A' ' 57' ' ' HIS . 99.3 m -125.14 122.27 36.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.439 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 11.9 m-85 -108.17 102.81 47.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 133.12 16.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' CG ' ' HD2' ' A' ' 56' ' ' PRO . 6.3 tttp 39.62 51.46 2.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -111.79 125.53 54.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.241 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.07 15.29 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.46 135.52 48.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.439 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 6.5 p -86.96 164.88 16.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.56 -28.89 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.69 -48.25 72.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.439 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 8.2 m120 -66.35 -44.81 82.2 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.506 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.81 -34.8 77.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.1 tm? -69.1 -43.16 75.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.412 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 3.4 t -67.84 -45.73 73.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.951 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.472 ' CB ' HD22 ' A' ' 78' ' ' LEU . 6.2 mt-30 -66.74 -46.8 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.2 mm -64.65 -45.95 93.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.491 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 54.0 m -63.22 -39.32 94.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.2 m120 -79.78 -9.29 59.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.563 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.44 117.96 16.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.644 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -79.19 161.06 26.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.497 ' OG1' ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.79 154.96 44.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.465 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.06 -3.72 14.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.544 1.812 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.603 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -111.37 -108.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.3 OUTLIER -169.59 132.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.507 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 6.2 mtpp -90.18 124.44 34.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 65' ' ' GLU . 4.4 mp -104.63 -84.46 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.449 ' HB2' ' HA ' ' A' ' 116' ' ' PHE . 53.3 t80 -102.75 152.1 21.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.461 HG12 ' CG2' ' A' ' 62' ' ' ILE . 67.8 mt -141.22 116.71 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -113.0 128.33 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.23 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 62.4 mt -128.67 116.29 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -127.5 135.04 49.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.17 . . . . 0.0 108.287 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -96.52 143.7 27.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.387 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 57' ' ' HIS . 8.5 tp10 -141.9 133.46 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -97.87 135.03 40.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.414 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 52.3 m170 -86.44 153.64 21.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.42 -6.74 48.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -86.15 0.33 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.42 4.87 87.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 12.8 pt-20 -96.26 126.94 42.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.556 0.798 . . . . 0.0 110.237 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.07 123.63 7.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.546 ' CD2' HG21 ' A' ' 17' ' ' THR . 2.7 t-80 -119.89 155.52 32.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 tt -136.23 141.8 43.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.436 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -116.25 146.56 42.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.582 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.406 ' CG2' HD13 ' A' ' 62' ' ' ILE . 8.3 mt -142.04 139.97 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.37 110.55 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.461 ' CG2' HG12 ' A' ' 44' ' ' ILE . 2.6 mt -119.63 154.21 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -133.31 142.08 48.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.44 ' CG ' HG23 ' A' ' 39' ' ' THR . 88.0 m-85 -118.26 156.24 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.454 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 1.4 tm-20 -66.21 -33.25 75.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.03 154.01 17.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.162 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -58.7 112.21 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.794 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.52 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 5.1 t80 -88.26 142.25 27.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.424 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -104.06 109.34 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.4 t -108.2 70.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.356 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.442 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 2.3 t -96.72 32.19 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -168.38 113.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -76.42 54.81 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -119.76 -24.52 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.623 1.202 . . . . 0.0 110.276 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.644 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.6 t80 -76.5 -39.49 52.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -87.93 13.14 11.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 70.0 m-20 -66.6 107.46 2.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.472 HD22 ' CB ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -108.81 136.18 48.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.543 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.5 m -128.45 164.77 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 83' ' ' ARG . 44.3 t -85.14 118.92 71.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.5 20.14 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -18.32 13.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 80' ' ' SER . 4.6 ttp180 -132.91 143.44 49.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.9 t -77.37 55.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.26 136.76 51.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.543 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 17.7 m170 -108.45 143.33 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -126.53 133.94 51.0 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.4 ' ND1' ' C ' ' A' ' 88' ' ' HIS . 0.2 OUTLIER -113.66 101.61 53.93 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.599 1.187 . . . . 0.0 109.585 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.04 161.93 37.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -87.12 124.99 33.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' A' ' 14' ' ' TYR . 10.4 mt -92.29 130.92 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -135.11 133.22 39.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.74 114.3 4.51 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.557 HG23 ' CZ ' ' A' ' 116' ' ' PHE . 19.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -61.26 -42.51 98.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -44.24 84.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.429 1.081 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.473 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 43.4 t80 -71.18 -33.82 70.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.484 HD11 ' CD1' ' A' ' 116' ' ' PHE . 71.5 mt -65.78 -40.02 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -19.68 65.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -74.88 67.03 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.84 173.05 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 127.98 98.56 0.97 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.8 OUTLIER 62.53 45.57 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -132.71 161.85 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.445 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 4.6 tt -104.88 126.56 52.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -116.87 126.19 52.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.263 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -133.87 137.17 44.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.12 -176.83 46.4 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -125.29 137.38 54.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 0.735 . . . . 0.0 110.424 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.557 ' CZ ' HG23 ' A' ' 100' ' ' VAL . 27.4 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.307 -0.256 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.573 ' CZ ' HD12 ' A' ' 9' ' ' ILE . 9.9 t80 -74.27 102.39 4.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.73 115.32 15.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.573 HD12 ' CZ ' ' A' ' 7' ' ' PHE . 22.0 mt -107.37 133.6 51.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.78 111.81 10.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.19 163.5 28.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -33.98 26.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -114.49 144.91 42.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.479 ' CE1' HG22 ' A' ' 9' ' ' ILE . 9.1 m-85 -132.16 141.68 49.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.559 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 22.5 m-85 -118.33 121.12 39.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.483 HD12 ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -104.63 130.05 52.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 m -118.8 127.05 53.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.526 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 2.7 m-85 -117.39 103.14 51.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.512 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.93 135.33 19.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 37.77 49.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.4 t -103.32 122.73 45.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 108.285 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.77 13.62 8.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -71.04 135.01 47.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.436 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 8.2 p -86.49 156.38 20.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.482 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.02 -29.13 70.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -47.77 74.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 4.2 m120 -67.68 -43.85 79.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.12 -37.23 83.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 1.061 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.4 tm? -69.04 -41.1 78.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 1.1 p -68.55 -45.86 71.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.462 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 8.2 mt-30 -67.74 -46.56 71.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm -63.84 -46.18 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 54.4 m -63.78 -38.39 90.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.6 m120 -80.99 -9.04 59.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.7 118.64 17.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.634 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 7.9 tt0 -80.18 162.53 24.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.476 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.15 157.4 46.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.393 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.755 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.582 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -115.66 -107.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.582 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -168.43 137.12 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -90.27 121.2 32.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.407 HD11 ' ND2' ' A' ' 40' ' ' ASN . 1.1 mp -96.38 -86.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.402 ' C ' HG13 ' A' ' 44' ' ' ILE . 52.2 t80 -103.42 157.69 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 43' ' ' PHE . 75.3 mt -142.16 116.58 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -111.85 124.37 52.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.438 HG21 ' CB ' ' A' ' 25' ' ' LYS . 39.4 mt -128.78 115.92 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -127.43 137.95 52.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 108.297 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -99.96 140.8 33.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 50' ' ' LEU . 11.6 tp10 -149.43 133.53 17.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 9.8 mp -98.97 135.42 40.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.543 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 58.5 m170 -80.74 156.06 26.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.5 -6.59 31.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -82.33 0.87 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.08 2.22 90.59 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.402 1.064 . . . . 0.0 110.987 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -96.37 134.14 23.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.437 0.727 . . . . 0.0 110.361 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 123.46 7.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.419 1.747 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.543 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 5.3 t-80 -111.74 154.93 24.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.638 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -133.24 141.37 48.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.451 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -121.31 141.56 50.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.555 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.7 mt -142.21 136.77 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.63 109.98 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.421 ' N ' HD21 ' A' ' 61' ' ' LEU . 4.3 mt -115.7 150.62 17.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.215 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.55 ' HG2' ' CD1' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.67 117.19 14.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -90.97 156.18 18.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.94 74.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.75 157.45 19.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -58.93 114.24 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.435 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 3.6 t80 -92.34 141.21 28.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.434 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -101.89 107.9 19.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.1 t -104.98 70.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.365 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.3 t -93.9 30.38 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.422 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -164.29 118.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.463 ' HG2' ' CD1' ' A' ' 91' ' ' ILE . 27.1 mt-30 -84.58 46.28 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 34.7 mtt180 -117.67 -20.35 8.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.634 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.1 t80 -76.71 -39.61 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.483 ' CD2' HD12 ' A' ' 16' ' ' LEU . 10.2 m-85 -87.94 12.84 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.9 m-20 -66.68 110.9 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -110.92 137.16 48.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.537 ' CG1' ' CG ' ' A' ' 86' ' ' HIS . 5.2 m -126.36 163.88 27.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 7.2 t -85.72 118.74 71.16 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.55 12.69 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.4 p -113.56 -20.73 11.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.472 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 80' ' ' SER . 1.6 ttp85 -133.65 144.24 49.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.09 55.1 1.11 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.422 ' HB1' ' CZ ' ' A' ' 83' ' ' ARG . . . -128.77 130.66 47.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.537 ' CG ' ' CG1' ' A' ' 79' ' ' VAL . 23.5 m170 -100.71 146.28 27.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.556 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 15.7 m-85 -126.23 131.26 51.99 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.4 100.55 50.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.626 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -74.96 162.86 36.52 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -87.94 124.43 33.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.463 ' CD1' ' HG2' ' A' ' 73' ' ' GLN . 9.2 mt -91.35 130.85 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -135.29 133.3 38.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.229 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.8 114.24 4.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.487 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 16.5 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -41.8 97.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -54.22 49.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -62.44 -33.68 75.3 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.609 HD13 ' CD1' ' A' ' 116' ' ' PHE . 32.6 mt -60.83 -49.44 84.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -25.84 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.223 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.475 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -75.08 67.8 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -82.84 173.63 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 151.81 89.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 1.2 m-20 62.67 34.32 14.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 0.812 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.84 157.31 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 112' ' ' GLU . 4.6 tt -105.12 138.9 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.418 ' N ' ' CD2' ' A' ' 111' ' ' LEU . 1.2 pm0 -134.84 141.23 46.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.68 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 13.5 t90 -134.2 154.12 51.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.68 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.18 -177.02 21.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -123.93 127.18 47.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.609 ' CD1' HD13 ' A' ' 104' ' ' ILE . 19.0 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.582 ' CZ ' HD13 ' A' ' 9' ' ' ILE . 9.3 t80 -74.47 101.56 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.413 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.9 t -133.56 119.22 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.582 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 38.2 mt -109.39 133.76 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.24 110.32 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.51 27.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -83.42 -34.07 25.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -115.14 145.52 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.531 ' CE1' HG21 ' A' ' 9' ' ' ILE . 8.5 m-85 -133.29 142.29 48.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.571 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 19.0 m-85 -118.97 123.08 43.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.439 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -106.13 136.0 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.185 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 m -123.9 123.32 40.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.575 ' CE1' HD11 ' A' ' 60' ' ' ILE . 9.2 m-85 -111.63 102.04 52.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.5 Cg_endo -75.03 134.94 18.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.2 ttmm 39.77 56.33 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.5 t -114.65 125.05 53.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 108.303 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -86.6 13.52 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.98 133.89 46.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.439 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.9 p -87.1 164.19 16.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.18 -29.65 66.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.59 -45.27 79.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.439 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 4.1 m120 -69.69 -42.93 73.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.13 -35.86 76.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.547 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.2 tm? -68.65 -47.12 67.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 m -67.0 -45.36 77.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -64.04 -35.94 82.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 110.28 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.8 mm -65.99 -34.42 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.547 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.5 -40.31 92.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -73.52 -13.41 61.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -73.43 112.37 9.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.624 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 5.4 pt20 -83.64 162.16 20.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.473 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.42 156.33 45.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.366 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.454 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.88 -3.17 13.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.047 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.607 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -115.86 -107.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.607 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.1 t30 -168.52 142.6 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -90.57 125.43 35.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD13 ' ND2' ' A' ' 40' ' ' ASN . 1.4 tp -103.4 -83.93 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.4 ' CD2' ' HD2' ' A' ' 116' ' ' PHE . 47.0 t80 -103.51 153.0 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -137.23 118.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' CE ' HG22 ' A' ' 110' ' ' VAL . 8.3 tptt -118.38 119.5 34.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.643 1.215 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 47.3 mt -127.5 115.12 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.392 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -127.9 138.56 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.46 ' HD3' ' CD2' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -97.04 142.65 28.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.177 . . . . 0.0 110.327 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' OE2' ' N ' ' A' ' 50' ' ' LEU . 9.0 tp10 -142.47 134.39 27.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD2' ' HD3' ' A' ' 48' ' ' ARG . 2.8 mm? -98.29 135.04 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 38.2 m170 -82.44 154.33 25.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.96 -6.87 49.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -85.84 -0.69 56.02 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.372 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.22 4.4 83.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.046 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.421 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 12.9 pt-20 -96.55 131.41 28.33 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 124.17 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.594 1.839 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.411 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 3.7 t-80 -114.51 155.2 26.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.554 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.01 139.8 48.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.411 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -118.3 142.57 47.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.575 HD11 ' CE1' ' A' ' 18' ' ' TYR . 73.0 mt -142.46 137.19 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.61 110.66 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.455 HD11 ' CG2' ' A' ' 60' ' ' ILE . 2.7 mt -117.25 147.66 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.243 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.35 118.23 15.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.43 ' CB ' HG23 ' A' ' 39' ' ' THR . 35.2 m-85 -91.41 157.55 17.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -33.61 73.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.24 159.93 19.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -58.87 118.15 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.242 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.542 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 4.0 t80 -96.77 141.56 29.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.432 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -100.34 107.0 18.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.4 t -103.86 69.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 108.245 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.413 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.4 t -95.04 30.84 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -162.05 122.8 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.451 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 12.8 mt-30 -87.54 41.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.27 -18.99 10.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.624 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.3 t80 -77.05 -39.41 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.506 ' CD2' HG12 ' A' ' 91' ' ' ILE . 21.2 m-85 -87.99 12.82 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -66.9 108.21 2.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.516 ' CD1' ' OH ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -109.02 137.14 47.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.528 HG13 ' CD2' ' A' ' 86' ' ' HIS . 2.2 m -121.76 163.83 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.0 t -85.78 119.26 71.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.057 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -6.09 17.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.782 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.97 -20.28 12.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.7 OUTLIER -132.91 142.35 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.9 t -76.15 56.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.25 144.58 51.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.528 ' CD2' HG13 ' A' ' 79' ' ' VAL . 25.1 m170 -108.34 146.92 32.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.585 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 12.6 m-85 -126.36 131.47 51.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.72 100.34 42.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 158.88 41.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.613 1.849 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -87.3 115.63 24.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.506 HG12 ' CD2' ' A' ' 76' ' ' PHE . 10.0 mt -85.34 130.33 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.5 133.09 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.3 113.89 3.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.754 . . . . 0.0 109.267 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.42 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 17.0 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -40.21 96.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -47.14 82.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.444 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 16.4 t80 -68.24 -41.3 81.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.03 -26.19 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -81.65 -39.04 24.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.733 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -73.28 63.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.95 -166.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.55 100.69 0.83 Allowed Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.59 31.62 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 0.702 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.454 HG22 ' CE ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -116.09 166.03 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.18 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.477 ' CD2' ' HG ' ' A' ' 29' ' ' LEU . 4.6 tt -104.64 135.43 46.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -123.44 132.21 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.654 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 9.6 t90 -141.34 149.28 40.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 108.01 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.654 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.85 178.74 10.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.67 129.5 51.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 0.807 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.42 ' CZ ' HG22 ' A' ' 100' ' ' VAL . 14.6 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 8' ' ' SER . 1.3 tmm_? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.583 ' CZ ' HD13 ' A' ' 9' ' ' ILE . 11.0 t80 -76.71 102.78 6.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.417 ' HB2' ' NH1' ' A' ' 6' ' ' ARG . 0.8 OUTLIER -132.6 113.96 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.941 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.583 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 18.2 mt -106.55 134.28 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -134.51 111.24 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.22 163.63 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -33.67 24.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.43 ' HB2' ' CB ' ' A' ' 94' ' ' ALA . 3.3 m-80 -114.67 146.74 40.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.423 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 13.1 m-85 -133.52 142.34 48.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.568 ' CE2' HD22 ' A' ' 61' ' ' LEU . 19.0 m-85 -120.25 119.88 34.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -104.41 130.66 52.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -118.15 134.25 55.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.473 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 1.1 m-85 -126.48 102.15 26.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.98 140.57 25.67 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.788 . . . . 0.0 111.064 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 18.4 ptmt 39.25 36.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.517 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.6 t -92.4 121.24 33.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 108.253 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.64 12.71 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 tp -71.16 134.28 46.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.418 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.1 p -86.53 160.82 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -67.75 -28.75 67.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.48 -48.66 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.418 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 10.0 m120 -65.23 -44.27 88.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.37 -32.43 71.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.228 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' THR . 0.6 OUTLIER -69.38 -44.3 71.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -43.93 72.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.433 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 32.3 mt-30 -65.89 -48.24 72.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 9.9 mm -65.48 -45.35 93.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 42.9 m -62.69 -38.34 90.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.25 -10.26 59.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.59 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.53 118.43 17.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 16.2 mt-30 -81.43 162.54 23.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.493 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -147.11 158.81 44.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.493 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -74.96 -6.74 18.46 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.593 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.45 -105.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.593 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.3 t30 -172.43 141.07 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 4.8 mtpm? -89.7 116.72 28.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tp -84.11 -64.55 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.228 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.666 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 21.5 t80 -137.29 164.38 28.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.666 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 5.4 mt -135.91 124.62 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -116.37 108.17 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.418 ' O ' ' HB ' ' A' ' 110' ' ' VAL . 79.9 mt -115.64 115.54 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -128.78 139.88 51.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -96.57 142.83 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 110.361 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 57' ' ' HIS . 7.3 tt0 -143.96 134.45 24.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -98.02 135.1 40.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.49 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 40.7 m170 -85.51 154.63 21.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.11 -6.64 50.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -82.74 2.18 35.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.79 -1.21 89.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 16.2 pt-20 -96.75 138.8 21.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 110.256 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.59 14.45 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.49 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 4.7 t-80 -117.54 154.99 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.656 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.461 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -133.17 140.64 47.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.436 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -118.97 143.93 46.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.645 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.423 ' CG2' HD11 ' A' ' 62' ' ' ILE . 5.2 mt -142.53 134.89 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 15' ' ' PHE . 1.2 tm? -138.41 110.19 7.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.385 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.469 ' N ' HD21 ' A' ' 61' ' ' LEU . 2.1 mt -114.86 150.19 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.263 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.576 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.26 116.72 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -91.52 156.19 17.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -33.6 74.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.61 159.59 20.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -58.92 120.17 8.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.228 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.477 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 4.5 t80 -100.94 142.37 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.78 117.47 34.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.76 70.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 108.289 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.444 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.1 t -93.09 29.48 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -161.04 119.73 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.477 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 32.2 mt-30 -86.59 42.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.412 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 43.7 mtt85 -117.48 -18.95 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 13.9 t80 -76.85 -39.52 50.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -87.85 12.4 13.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.412 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.6 m-20 -67.71 110.46 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -105.66 136.23 45.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.455 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 3.1 m -124.64 163.44 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 7.7 t -86.39 118.29 70.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -2.28 12.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.0 p -113.59 -20.61 11.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 110.388 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' SER . 17.9 ttt180 -133.62 144.04 48.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.01 56.93 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.7 131.4 44.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.455 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 24.3 m170 -102.25 146.13 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.531 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.5 m-85 -126.52 132.12 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.66 101.45 43.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.94 159.91 41.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -87.52 121.49 30.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 12.4 mt -87.79 130.43 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.27 132.97 38.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.5 114.18 4.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.43 ' CB ' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.537 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 15.1 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -62.42 -42.2 99.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.1 t -57.68 -45.82 85.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.908 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -69.08 -35.69 76.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 116' ' ' PHE . 56.2 mt -65.77 -38.2 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 109.382 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -30.47 70.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -75.02 73.66 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -82.77 167.3 18.27 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 151.52 94.15 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 7.1 m-20 64.6 32.7 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -121.96 162.18 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.421 HD21 ' N ' ' A' ' 112' ' ' GLU . 8.0 tt -105.05 145.57 30.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.175 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.421 ' N ' HD21 ' A' ' 111' ' ' LEU . 42.9 mt-10 -130.78 125.5 33.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.654 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.3 t90 -130.21 151.32 50.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 108.068 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.654 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.51 -177.76 16.28 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.575 1.172 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -123.41 117.42 25.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.576 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 5.1 t80 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.163 . . . . 0.0 111.046 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 16.3 t80 -74.1 103.1 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 p -132.27 119.09 20.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.402 HD13 ' CE1' ' A' ' 7' ' ' PHE . 51.1 mt -110.62 135.49 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.53 110.7 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 164.05 27.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.39 -24.27 24.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.187 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -113.84 136.08 53.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.606 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.4 m-85 -133.48 133.26 42.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.572 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 40.0 m-85 -120.88 125.18 46.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.402 HD12 ' CD2' ' A' ' 76' ' ' PHE . 1.4 mm? -104.13 133.56 48.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -119.55 125.94 50.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.516 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 6.6 m-85 -115.42 102.16 54.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 137.68 21.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 pttt 40.1 46.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.6 t -108.13 120.59 42.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.22 15.11 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -70.18 135.67 49.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.41 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.0 p -86.76 165.66 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.49 -28.9 64.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -66.13 -48.55 70.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.41 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 10.5 m120 -65.52 -44.39 87.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.493 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.66 -34.08 75.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.51 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.4 tm? -69.09 -40.92 78.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 71.9 m -68.17 -44.78 75.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.467 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 35.4 mt-30 -68.13 -48.29 65.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.466 HG21 ' CD1' ' A' ' 62' ' ' ILE . 20.8 mm -62.44 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.267 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 54.5 m -63.13 -32.95 74.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.466 ' N ' HD21 ' A' ' 34' ' ' ASN . 1.4 m-80 -84.16 -11.21 56.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.32 117.76 16.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.571 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -79.48 163.16 24.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.543 ' OG1' HG23 ' A' ' 39' ' ' THR . 1.2 t -146.32 153.72 48.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.541 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.04 -15.84 20.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.57 1.826 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.543 HG23 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -101.59 -93.46 0.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.483 ' H ' ' CG2' ' A' ' 39' ' ' THR . 0.8 OUTLIER 178.1 140.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HE2' ' O ' ' A' ' 32' ' ' ILE . 7.8 mtpp -88.66 123.35 33.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.424 HD23 ' NE2' ' A' ' 63' ' ' GLN . 1.1 mp -96.15 -86.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 50.9 t80 -103.61 154.24 19.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.055 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.5 mt -145.16 115.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -136.11 128.69 30.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 3.3 mt -118.97 115.13 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.453 ' HA ' ' CG1' ' A' ' 110' ' ' VAL . 10.6 t -110.72 138.63 46.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 108.293 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -96.97 144.13 27.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.24 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 57' ' ' HIS . 28.0 tt0 -145.57 135.52 23.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.09 134.85 40.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.45 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 34.1 m170 -84.15 154.49 23.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.666 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.64 -6.94 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -83.21 1.16 42.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.78 0.69 89.15 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.44 136.92 21.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.53 7.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 5.1 t-80 -108.62 154.89 21.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.463 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -130.34 138.08 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.425 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -118.39 144.34 45.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 109.675 179.889 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.482 HD11 ' CZ ' ' A' ' 18' ' ' TYR . 9.5 mt -139.24 139.84 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.572 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -138.61 110.62 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.934 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 32' ' ' ILE . 5.7 mt -119.07 151.97 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.556 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 25.3 tt0 -128.93 143.23 50.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.437 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 92.1 m-85 -119.2 147.72 43.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -33.6 75.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.43 164.15 20.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -59.61 109.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.606 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.4 t80 -90.99 135.28 33.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.449 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.42 110.26 22.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.5 t -105.68 71.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 108.373 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.3 t -95.93 31.67 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.351 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -153.91 122.85 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.523 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 2.2 pt20 -86.8 26.21 1.16 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.6 mtp180 -115.57 -11.49 11.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.403 1.064 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.571 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.7 t80 -77.81 -21.48 51.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.402 ' CD2' HD12 ' A' ' 16' ' ' LEU . 19.4 m-85 -112.91 13.31 19.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.448 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.3 m-20 -66.63 106.14 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -104.19 136.03 44.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.506 HG13 ' CG ' ' A' ' 86' ' ' HIS . 2.7 m -122.69 163.62 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 83' ' ' ARG . 11.8 t -86.31 118.35 70.2 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.65 12.82 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.0 p -113.44 -20.66 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 12.2 ttm180 -133.6 144.33 49.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.68 56.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.67 134.09 47.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.506 ' CG ' HG13 ' A' ' 79' ' ' VAL . 26.3 m170 -104.88 146.36 29.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.632 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 15.9 m-85 -126.59 132.69 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -111.75 100.8 49.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.632 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.516 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.01 159.29 41.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -87.2 131.71 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 7.6 mt -97.29 119.61 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.465 ' CG ' ' HB2' ' A' ' 15' ' ' PHE . 12.5 pt20 -135.96 132.79 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.61 130.05 10.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.594 1.184 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 0 O-C-N 124.52 0.776 . . . . 0.0 109.336 179.992 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.494 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 18.3 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -38.94 75.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 t -58.13 -46.46 85.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 2.4 t80 -71.16 -34.29 70.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 67.0 mt -63.75 -32.87 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.64 -24.77 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -74.86 68.48 1.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -83.07 -178.26 7.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.224 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.0 77.52 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.57 70.76 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 47' ' ' CYS . 6.2 m -140.94 166.0 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 112' ' ' GLU . 6.1 tt -104.95 143.16 33.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.608 1.193 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.416 ' N ' ' CD2' ' A' ' 111' ' ' LEU . 0.7 OUTLIER -120.45 128.37 53.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.644 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.9 t90 -141.8 153.92 44.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.644 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 59.7 174.63 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.11 122.32 37.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.556 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 5.9 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.3 t80 -76.97 102.5 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.63 113.02 12.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.445 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 71.7 mt -106.31 133.41 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -134.73 110.44 9.24 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.37 163.47 27.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -86.5 -26.34 24.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 6.3 m-80 -117.22 135.24 53.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.4 m-85 -127.44 142.35 51.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 12.8 m-85 -119.72 122.05 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.76 129.4 53.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 m -121.04 118.28 29.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.453 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.526 ' OH ' ' CD1' ' A' ' 78' ' ' LEU . 17.4 m-85 -107.51 101.78 41.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.04 138.8 23.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 7.1 mttt 39.89 46.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.493 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.8 t -105.98 120.97 43.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 108.346 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.04 14.55 7.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.63 135.17 49.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.459 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.2 p -85.08 162.2 19.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.9 -29.6 66.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -48.17 74.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.459 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 4.1 m120 -66.52 -44.09 83.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.433 ' O ' ' HB ' ' A' ' 32' ' ' ILE . . . -67.65 -33.08 74.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 33' ' ' THR . 0.5 OUTLIER -69.15 -44.81 71.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.426 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 66.0 m -67.83 -44.69 76.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.542 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 10.8 mt-30 -65.9 -47.75 73.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CG2' HD12 ' A' ' 62' ' ' ILE . 18.7 mm -64.44 -45.47 95.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.455 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 54.4 m -62.48 -38.44 89.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.449 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 30' ' ' SER . 28.0 m120 -81.6 -7.72 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -74.92 119.09 18.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.623 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 35.2 mt-30 -81.14 163.34 23.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.427 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -146.32 160.79 41.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 -22.74 14.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.781 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -100.37 -99.15 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.563 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.3 t30 -175.2 144.64 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -90.46 118.71 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.98 -59.89 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 116' ' ' PHE . 37.4 t80 -137.28 157.36 46.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.8 mt -138.41 116.8 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.521 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 8.4 tptt -116.74 117.29 29.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.228 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.434 ' O ' ' HB ' ' A' ' 110' ' ' VAL . 22.0 mt -118.75 114.98 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.5 t -124.86 136.55 53.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 108.296 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 28.8 ttt180 -103.36 142.38 34.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -141.85 132.66 25.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.12 135.29 40.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 29.1 m170 -83.03 153.74 24.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.562 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.77 -6.57 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -86.38 -2.64 58.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.65 5.92 77.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 15.5 pt-20 -96.66 127.01 41.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.81 18.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.436 1.756 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.462 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 5.8 t-80 -127.12 152.04 47.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 109.542 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -128.54 139.87 52.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.618 1.199 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.462 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -122.66 141.37 51.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.567 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.5 mt -142.85 139.46 27.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 tm? -138.41 109.47 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.483 HD12 ' CG2' ' A' ' 32' ' ' ILE . 5.8 mt -116.95 147.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.02 115.94 13.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 36.8 m-85 -90.26 157.19 17.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -33.74 73.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.86 156.62 18.91 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.504 1.127 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -59.03 111.22 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 0.807 . . . . 0.0 109.366 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.471 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.5 t80 -87.88 137.79 32.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.454 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -96.76 107.47 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 10.4 t -106.17 69.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.5 t -94.03 30.65 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -163.91 115.8 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -80.94 48.76 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -118.2 -22.57 7.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.623 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.5 t80 -76.44 -38.71 55.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.947 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 91' ' ' ILE . 24.7 m-85 -87.77 12.21 13.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 69.0 m-20 -69.77 106.65 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.542 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -106.4 136.85 45.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.551 HG12 ' CD2' ' A' ' 86' ' ' HIS . 1.9 m -123.59 165.18 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 83' ' ' ARG . 31.3 t -84.75 119.54 72.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -6.24 17.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 p -111.45 -20.98 12.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.458 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.3 ttm-85 -133.99 145.36 49.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.38 54.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.47 132.92 52.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.551 ' CD2' HG12 ' A' ' 79' ' ' VAL . 24.1 m170 -102.15 147.15 26.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.612 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -126.16 133.29 51.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.24 101.38 45.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.51 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.06 159.51 41.05 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.25 119.68 27.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.425 HG12 ' CD2' ' A' ' 76' ' ' PHE . 21.1 mt -88.37 125.08 41.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -135.25 132.4 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.18 113.73 4.79 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 179.991 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -47.35 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.6 m -57.61 -48.91 78.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -62.9 -35.56 80.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.561 ' CD1' ' CE2' ' A' ' 116' ' ' PHE . 27.1 mt -69.23 -32.36 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -26.87 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -73.48 67.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.03 169.4 15.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.01 93.11 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 61.33 34.3 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.259 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 2.1 m -111.79 163.48 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.441 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 5.1 tt -105.26 145.62 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -129.96 130.74 45.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.221 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.569 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 5.9 t90 -137.46 142.98 41.57 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.569 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 74.81 -173.44 52.18 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.439 1.087 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -122.63 119.7 31.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.721 . . . . 0.0 110.362 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 21.0 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.4 t80 -78.25 101.56 7.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.441 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.5 OUTLIER -133.27 119.93 20.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.946 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.48 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 21.8 mt -113.92 134.88 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.9 111.38 9.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.32 163.55 27.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -33.7 32.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -114.49 146.58 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.2 m-85 -133.56 144.19 49.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 61' ' ' LEU . 36.8 m-85 -120.14 124.59 46.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -104.22 128.81 51.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -119.49 119.37 33.66 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.575 ' CE1' HD11 ' A' ' 60' ' ' ILE . 6.3 m-85 -112.08 102.02 52.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.94 21.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 2.8 mtpp 39.24 45.32 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.6 t -100.64 121.5 41.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 108.244 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.81 14.21 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.7 tp -70.39 137.88 50.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.3 p -87.18 160.5 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.27 -30.04 68.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -47.89 72.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.467 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 4.1 m120 -65.48 -43.82 89.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.505 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.67 -34.58 75.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.1 tm? -69.25 -41.4 76.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -45.1 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.429 ' CD ' HD21 ' A' ' 78' ' ' LEU . 36.9 mt-30 -67.81 -48.14 67.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.0 mm -62.47 -45.68 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 52.5 m -65.04 -37.54 87.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.525 ' N ' HD21 ' A' ' 34' ' ' ASN . 1.1 m-80 -82.21 -8.74 59.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.596 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.47 118.66 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.349 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.63 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -82.61 162.35 21.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.485 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -147.22 157.92 45.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.05 -5.35 16.66 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.603 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.95 -107.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.451 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.4 t30 -170.85 142.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.247 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -90.58 116.4 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.49 -59.1 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.464 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 59.6 t80 -137.16 155.07 50.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.0 mt -136.24 118.96 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -110.67 124.22 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.7 mt -128.19 116.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.2 t -126.2 138.86 53.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -96.84 142.43 28.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 57' ' ' HIS . 7.9 tp10 -140.37 136.77 33.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 56' ' ' PRO . 3.9 mm? -127.06 135.58 50.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.431 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 25.7 m170 -91.66 154.59 18.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.14 -6.64 53.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -83.09 -3.1 56.94 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.01 3.82 72.81 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 19.1 pt-20 -96.39 118.86 65.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.404 0.708 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.401 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.04 150.38 37.9 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.427 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 8.7 t-80 -140.48 152.28 45.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.619 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -133.57 135.88 44.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.433 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -121.78 137.21 54.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.559 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.575 HD11 ' CE1' ' A' ' 18' ' ' TYR . 77.4 mt -142.39 139.06 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -138.39 110.73 7.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.5 mt -115.12 149.64 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.517 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.41 116.61 14.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -91.14 156.44 17.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.34 -33.63 73.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.28 156.83 17.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -58.76 112.38 1.61 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 0.792 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.475 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 8.0 t80 -90.83 142.09 28.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.414 1.071 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.91 115.1 29.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 7.2 t -111.3 70.49 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 108.326 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.441 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 5.6 t -100.54 33.98 2.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -168.95 109.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.436 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -76.12 55.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.228 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -121.96 -25.56 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.4 t80 -76.4 -39.26 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.442 ' CD2' HG12 ' A' ' 91' ' ' ILE . 27.0 m-85 -88.32 12.87 12.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 65.2 m-20 -69.86 106.72 3.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.505 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -103.89 136.02 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.551 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.4 m -124.39 164.34 22.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 83' ' ' ARG . 41.6 t -85.43 118.77 71.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -5.54 16.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.782 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.6 p -111.57 -20.94 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.6 1.187 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.87 144.58 49.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.52 58.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.064 . . . . 0.0 110.057 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.37 135.48 48.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.551 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 24.8 m170 -108.25 145.91 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -126.53 136.57 52.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.09 103.05 52.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.642 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.0 160.12 40.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -87.47 118.02 26.64 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.442 HG12 ' CD2' ' A' ' 76' ' ' PHE . 13.3 mt -88.41 125.6 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -135.31 133.23 38.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.417 1.073 . . . . 0.0 110.23 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.16 114.18 4.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.983 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.51 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 16.1 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -43.34 96.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.46 -53.03 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.957 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -62.82 -35.48 80.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 116' ' ' PHE . 36.3 mt -62.46 -37.87 79.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -25.31 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -75.09 69.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.91 171.4 13.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 147.5 94.27 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 42.9 m-20 62.53 33.62 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.236 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.88 165.73 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.11 . . . . 0.0 109.235 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 25' ' ' LYS . 5.2 tt -105.02 145.66 30.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -132.81 123.6 26.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.663 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 7.2 t90 -130.72 148.43 52.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 108.007 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.663 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 69.29 -179.39 25.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.74 120.58 33.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 104' ' ' ILE . 7.5 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 13.7 t80 -76.91 103.35 6.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.98 110.55 10.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.3 mt -107.26 133.92 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -134.25 109.64 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.6 163.74 27.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 109.257 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -24.86 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -114.16 133.42 55.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.0 m-85 -129.6 138.33 51.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.583 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 38.2 m-85 -120.05 126.48 50.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.413 HD22 ' CG2' ' A' ' 60' ' ' ILE . 1.4 mm? -104.83 129.34 53.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.42 HG22 ' NE2' ' A' ' 57' ' ' HIS . 26.3 m -119.88 117.87 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.608 ' CD2' ' HB3' ' A' ' 89' ' ' PRO . 5.8 m-85 -111.38 102.68 53.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.456 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.06 142.02 27.17 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.602 1.843 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 7.5 pttt 37.84 37.28 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 11.7 t -93.13 118.84 31.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 108.243 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -86.46 11.97 11.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.0 tp -71.14 135.15 47.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.424 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 6.9 p -85.09 163.69 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -70.86 -28.16 64.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.23 -48.98 71.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.228 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.424 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 6.0 m120 -66.79 -43.81 82.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.14 -32.99 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -69.06 -44.63 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -68.4 -43.84 76.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.448 ' CB ' HD22 ' A' ' 78' ' ' LEU . 27.0 mt-30 -65.99 -48.42 71.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.403 ' HA ' ' HB2' ' A' ' 35' ' ' LEU . 17.8 mm -64.82 -45.36 95.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 46.2 m -62.9 -35.07 78.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -85.26 -8.79 58.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.573 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.58 119.01 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.639 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 13.3 pt20 -82.45 162.62 22.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.508 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -146.86 159.15 44.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.377 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.508 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.04 -3.5 14.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -116.54 -107.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.585 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -170.87 141.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -91.02 125.62 35.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.421 HD11 ' ND2' ' A' ' 40' ' ' ASN . 1.3 tp -100.43 -56.15 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.537 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 61.4 t80 -137.12 154.16 50.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.573 HD13 ' CE3' ' A' ' 113' ' ' TRP . 57.3 mt -138.27 118.09 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -110.58 125.31 53.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 60' ' ' ILE . 63.8 mt -128.76 115.62 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.3 m -129.85 139.42 51.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 108.261 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.9 147.27 24.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 57' ' ' HIS . 10.8 tp10 -140.33 157.23 45.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -126.53 134.76 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -93.82 156.44 16.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -6.91 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -84.23 -1.1 54.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.88 2.93 88.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.42 124.11 52.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.281 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.97 12.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' GLU . 5.2 t-80 -122.74 155.15 37.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.708 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 4.9 tt -132.65 141.83 48.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -117.53 142.18 47.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.586 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.457 ' CD1' HG12 ' A' ' 46' ' ' ILE . 5.8 mt -142.1 138.92 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.583 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -137.25 111.11 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.7 mt -114.7 149.31 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.545 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.76 116.75 14.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 179.919 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -91.12 156.85 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -33.51 72.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.25 158.1 20.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -58.9 121.01 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.444 ' CE1' ' CD ' ' A' ' 38' ' ' PRO . 7.0 t80 -100.27 142.72 31.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.14 108.37 20.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 10.5 t -102.99 68.62 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.248 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.5 t -95.49 31.11 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -162.58 117.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.453 ' HG3' ' CE2' ' A' ' 7' ' ' PHE . 1.1 mt-30 -86.53 43.22 1.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.4 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -116.64 -20.74 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.639 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.8 -39.45 51.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -87.88 12.55 12.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.4 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.4 m-20 -66.86 111.11 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.448 HD22 ' CB ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -108.46 136.92 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.456 HG13 ' CD2' ' A' ' 86' ' ' HIS . 5.6 m -125.83 163.91 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.36 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.1 t -85.76 117.8 69.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -3.84 14.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.442 1.759 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.6 p -111.95 -21.09 11.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 1.7 ttt180 -133.79 144.01 48.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.06 58.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.75 134.42 46.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.456 ' CD2' HG13 ' A' ' 79' ' ' VAL . 24.9 m170 -104.6 147.59 27.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.593 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -126.2 134.23 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.02 102.25 45.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.662 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.608 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.92 159.43 41.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -98.64 120.5 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.445 ' CG2' ' CD1' ' A' ' 14' ' ' TYR . 7.1 mt -85.89 129.94 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.381 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -135.16 132.98 38.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.51 120.77 6.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.446 0.733 . . . . 0.0 109.313 179.966 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -38.3 83.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 m -57.55 -46.81 83.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -71.4 -33.57 69.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 31.4 mt -63.63 -34.32 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.18 -23.91 63.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -74.12 67.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.1 -178.16 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.63 71.27 0.06 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.442 1.089 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.36 68.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 0.782 . . . . 0.0 109.272 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.85 166.61 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.423 ' HB2' ' CD ' ' A' ' 25' ' ' LYS . 5.3 tt -104.71 142.51 34.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -125.1 126.69 45.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.364 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.573 ' CE3' HD13 ' A' ' 44' ' ' ILE . 30.4 t90 -134.59 154.43 51.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.534 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.15 179.18 3.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.46 1.1 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.1 119.39 29.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.545 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 9.0 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.552 ' CE1' HD13 ' A' ' 9' ' ' ILE . 10.8 t80 -77.91 102.89 7.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.14 110.85 10.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.068 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.552 HD13 ' CE1' ' A' ' 7' ' ' PHE . 33.5 mt -103.22 135.05 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 109.67 8.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.55 163.95 27.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.211 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -22.98 23.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 94' ' ' ALA . 4.0 m-80 -115.0 137.1 52.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.569 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.5 m-85 -133.91 137.0 44.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.57 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 58.0 m-85 -120.39 127.59 52.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD11 ' CG ' ' A' ' 76' ' ' PHE . 1.8 mm? -104.69 133.07 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -121.27 121.23 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.46 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 6.2 m-85 -115.4 104.14 53.61 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.489 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.02 140.86 25.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 5.2 pttt 37.72 41.44 0.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.491 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 9.1 t -98.59 120.72 39.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 108.28 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -87.01 14.75 6.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 tp -70.87 136.14 48.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.372 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.434 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.6 p -86.5 162.93 17.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.67 -29.05 65.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -66.12 -47.92 72.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.3 m120 -66.03 -44.22 85.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.29 -33.53 73.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -68.96 -42.7 76.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 74.6 m -69.53 -44.4 71.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.504 ' CB ' HD21 ' A' ' 78' ' ' LEU . 27.4 mt-30 -66.17 -47.59 73.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.0 mm -65.13 -45.71 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 51.2 m -63.4 -33.99 76.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.472 ' N ' HD21 ' A' ' 34' ' ' ASN . 1.4 m-80 -83.83 -10.24 58.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.33 117.44 16.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.496 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 1.2 mt-30 -79.51 161.51 25.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.515 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -148.4 153.64 40.72 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.602 1.189 . . . . 0.0 110.382 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.515 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.0 Cg_endo -75.11 -0.49 10.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.577 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.67 -107.29 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.577 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.3 t30 -171.94 134.8 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -90.86 127.21 36.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 65' ' ' GLU . 4.0 mp -103.41 -86.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.484 ' HB2' ' CA ' ' A' ' 116' ' ' PHE . 41.6 t80 -102.82 153.4 20.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.409 HD12 ' CZ3' ' A' ' 113' ' ' TRP . 88.9 mt -141.58 115.92 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' NZ ' HG22 ' A' ' 110' ' ' VAL . 1.3 tmtp? -118.52 128.59 54.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 26.5 mt -125.4 117.58 50.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.2 t -122.91 138.13 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 108.316 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.431 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -99.58 144.0 29.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 110.277 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -142.07 134.71 28.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -98.22 134.82 40.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -85.97 150.03 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.61 -7.09 35.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.78 0.81 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 2.94 89.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 19.6 pt-20 -96.53 131.17 28.83 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 125.77 9.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.791 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 4.8 t-80 -112.03 154.87 24.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -130.89 140.79 50.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.439 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.12 143.82 49.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 0.0 109.625 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mt -141.89 140.65 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.57 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.38 111.51 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.418 ' N ' HD23 ' A' ' 61' ' ' LEU . 2.8 mt -119.97 154.44 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.483 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -131.11 145.92 52.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.337 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.506 ' CD2' HG22 ' A' ' 39' ' ' THR . 89.5 m-85 -122.44 153.26 39.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.551 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -65.92 -33.27 75.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.08 158.24 18.6 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -59.46 110.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.569 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.9 t80 -88.67 134.1 34.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.424 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -96.18 114.13 25.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 8.3 t -111.27 69.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 108.275 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -92.56 29.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -158.99 125.55 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -88.57 35.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.444 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 6.5 mtm180 -117.01 -15.44 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.496 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.1 t80 -77.26 -25.85 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.409 ' CG ' HD11 ' A' ' 16' ' ' LEU . 29.8 m-85 -106.13 13.62 28.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.066 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.444 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 70.3 m-20 -65.91 107.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.504 HD21 ' CB ' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -105.72 136.77 44.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.452 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 3.7 m -121.53 164.75 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 25.2 t -85.26 118.43 70.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 p -112.33 -20.74 11.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' SER . 18.5 ttt-85 -133.51 144.23 49.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.235 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.21 56.84 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.59 141.71 50.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.452 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 26.1 m170 -108.7 147.84 31.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 19.2 m-85 -126.27 134.81 51.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.02 101.56 45.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.05 166.19 29.67 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.445 1.761 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.42 122.71 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.409 ' CG2' ' CD1' ' A' ' 14' ' ' TYR . 8.9 mt -86.83 129.14 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -135.32 132.71 38.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.67 123.96 8.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -39.47 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.1 t -57.59 -46.16 84.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.52 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 11.0 t80 -71.13 -33.82 70.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.35 -26.87 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -81.75 -37.64 26.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.677 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 4.2 pttt -75.6 35.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 105' ' ' ASP . 7.4 p30 -83.02 179.19 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 158.17 94.81 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 4.9 m-20 79.16 55.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.435 HG22 ' NZ ' ' A' ' 45' ' ' LYS . 1.1 m -137.09 166.71 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.519 ' C ' ' CD2' ' A' ' 111' ' ' LEU . 2.8 tt -104.63 129.14 52.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.421 ' N ' HD22 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -109.99 143.28 40.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.469 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 22.2 t90 -141.3 154.53 45.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.469 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 56.26 179.86 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.08 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -125.55 126.7 45.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.484 ' CA ' ' HB2' ' A' ' 43' ' ' PHE . 5.3 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 12.8 t80 -77.12 102.26 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.9 111.01 10.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.957 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.463 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 40.7 mt -104.51 136.77 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -134.84 111.35 9.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.43 ' HA ' ' CE ' ' A' ' 67' ' ' LYS . . . -162.3 163.43 28.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' CE ' ' OD1' ' A' ' 13' ' ' ASN . 8.5 ttpt -84.97 -32.55 22.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' OD1' ' CE ' ' A' ' 12' ' ' LYS . 3.1 m-80 -114.61 141.92 47.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CE2' HG21 ' A' ' 9' ' ' ILE . 10.2 m-85 -133.3 142.02 48.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 22.9 m-85 -119.45 123.06 43.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 76' ' ' PHE . 1.1 mm? -104.47 132.67 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 m -120.69 118.02 29.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.447 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 10.1 m-85 -108.47 101.29 42.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.08 137.48 21.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER 39.38 46.33 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.6 t -103.09 120.48 40.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -86.84 14.49 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 15.5 tp -70.99 135.89 48.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.431 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 8.9 p -85.7 156.86 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 2.1 pptp? -64.54 -29.07 70.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -66.25 -47.85 72.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.4 m120 -66.36 -43.5 85.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.505 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.91 -35.08 76.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 33' ' ' THR . 0.9 OUTLIER -69.22 -41.64 76.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.386 179.921 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.432 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 14.7 t -68.86 -45.19 71.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.93 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.412 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 36.7 mt-30 -66.86 -47.38 72.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.416 ' CG2' HD12 ' A' ' 62' ' ' ILE . 12.4 mm -64.16 -45.39 96.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 45.1 m -64.03 -35.44 80.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.443 ' N ' HD21 ' A' ' 34' ' ' ASN . 1.6 m-80 -83.51 -9.97 58.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -74.48 118.67 17.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.612 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 16.8 mm-40 -80.32 164.38 23.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.466 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.5 OUTLIER -145.34 161.89 39.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.939 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HD2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 -25.72 11.65 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.65 -93.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.482 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.9 OUTLIER 178.26 146.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -90.27 121.07 31.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.85 -57.41 2.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 116' ' ' PHE . 56.2 t80 -137.84 157.93 45.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.4 mt -138.65 116.86 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -114.19 128.24 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 69.0 mt -128.81 115.74 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 30.8 t -128.06 139.41 52.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 108.251 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -97.02 144.28 27.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.422 ' HB3' ' ND1' ' A' ' 57' ' ' HIS . 25.7 tt0 -143.76 133.82 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -98.44 134.56 41.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.477 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 22.3 m170 -85.68 156.14 20.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -77.29 -6.54 53.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.03 -6.24 59.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.49 0.31 70.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.477 ' HG3' ' HB2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -96.37 135.32 22.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.344 179.906 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.66 8.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 4.1 t-80 -109.9 155.47 21.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -132.27 138.12 47.75 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.425 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -117.14 142.67 46.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.641 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.459 HD13 ' CE1' ' A' ' 18' ' ' TYR . 22.8 mt -142.27 136.38 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.613 1.196 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.4 tm? -138.15 110.09 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.431 ' N ' HD21 ' A' ' 61' ' ' LEU . 3.3 mt -117.45 150.9 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.02 116.96 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 44.0 m-85 -90.87 157.42 17.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -33.49 72.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 161.98 22.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' CE ' ' HA ' ' A' ' 11' ' ' ALA . 22.5 mtpt -58.64 110.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 38' ' ' PRO . 2.9 t80 -87.4 139.19 30.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.89 119.19 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -115.26 67.37 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.33 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.4 t -94.19 29.99 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -163.99 117.71 1.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 109.189 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.462 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.8 OUTLIER -86.28 41.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.409 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -115.09 -19.03 11.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.612 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 13.0 t80 -76.59 -39.16 53.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.412 ' CD2' HD11 ' A' ' 16' ' ' LEU . 14.4 m-85 -88.31 12.12 14.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.938 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.409 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 71.0 m-20 -67.13 106.83 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.24 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.505 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -105.61 136.36 45.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.504 HG13 ' CG ' ' A' ' 86' ' ' HIS . 2.6 m -124.04 163.8 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.9 t -86.17 119.44 71.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -6.83 18.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.56 -19.66 13.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.7 OUTLIER -133.06 142.17 48.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -76.38 56.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.13 140.07 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.504 ' CG ' HG13 ' A' ' 79' ' ' VAL . 19.2 m170 -107.7 147.75 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.624 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 17.2 m-85 -126.43 131.59 51.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.75 103.56 47.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.642 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.92 158.04 42.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -87.53 121.34 29.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 76.3 mt -85.16 127.72 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.18 132.6 38.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.74 114.45 4.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -179.914 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.534 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 17.3 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -43.22 91.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.3 m -57.67 -46.9 83.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 25.9 t80 -68.06 -34.32 76.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.55 HD13 ' CE2' ' A' ' 116' ' ' PHE . 62.8 mt -65.21 -40.06 87.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.04 -25.82 65.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -75.02 69.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.9 168.6 16.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.238 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 146.91 97.17 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 17.3 m-20 62.66 33.91 15.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.13 166.66 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.224 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 112' ' ' GLU . 5.0 tt -104.81 145.46 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.43 ' N ' HD22 ' A' ' 111' ' ' LEU . 1.9 tm-20 -130.91 122.6 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.619 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 20.5 t90 -132.47 154.2 50.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.602 1.189 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.619 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 63.4 -178.51 6.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -123.18 120.46 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 0.808 . . . . 0.0 110.443 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 14.7 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 21.0 t80 -74.04 102.73 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.58 112.83 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.0 mt -108.05 134.35 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.239 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 109.68 8.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.46 163.89 27.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -87.53 -22.67 24.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.376 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.434 ' HB2' ' CB ' ' A' ' 94' ' ' ALA . 3.2 m-80 -115.61 135.97 53.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.6 m-85 -133.55 134.77 43.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.543 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 46.8 m-85 -120.25 127.07 52.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 76' ' ' PHE . 1.5 mm? -104.74 133.98 48.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 m -120.04 125.48 48.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.368 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.566 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 3.8 m-85 -117.8 101.56 51.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.0 139.77 24.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER 38.11 42.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.517 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 10.0 t -98.63 122.74 42.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -86.6 12.34 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 tp -71.11 134.71 47.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.444 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.6 p -86.72 162.09 18.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -69.74 -29.17 66.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -47.4 73.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.444 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.0 m120 -67.0 -43.78 82.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' O ' HG12 ' A' ' 32' ' ' ILE . . . -68.66 -35.85 77.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.376 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.5 tm? -68.09 -42.27 80.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.0 m -71.18 -38.88 72.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.474 ' CB ' HD23 ' A' ' 78' ' ' LEU . 20.4 mt-30 -70.63 -36.28 73.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 28' ' ' ALA . 5.6 mm -63.75 -36.16 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.34 -41.68 93.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 110.455 179.938 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -73.69 -11.78 60.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -74.45 114.69 13.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.638 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 6.9 mt-30 -84.89 162.96 19.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.453 ' OG1' HG21 ' A' ' 39' ' ' THR . 0.2 OUTLIER -146.24 158.11 48.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -75.0 -26.1 11.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.778 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -93.09 -102.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.376 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.563 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.7 OUTLIER -173.38 138.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.49 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 8.8 mtpp -83.96 152.77 24.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.453 ' CD1' ' OD1' ' A' ' 40' ' ' ASN . 3.0 mp -132.11 -87.58 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.555 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 42.2 t80 -102.77 152.84 20.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.067 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.494 HD12 ' CZ3' ' A' ' 113' ' ' TRP . 25.2 mt -138.0 115.59 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.4 OUTLIER -119.64 121.27 38.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 78.7 mt -117.41 114.17 44.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.4 t -113.83 138.76 49.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 108.336 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -98.14 142.71 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -147.95 133.27 18.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -98.66 134.94 40.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.567 ' CD2' ' CB ' ' A' ' 57' ' ' HIS . 34.8 m170 -80.86 148.99 29.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.44 -6.87 38.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -83.92 1.86 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.42 2.24 89.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 12.6 pt-20 -96.6 136.04 22.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 124.08 8.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.567 ' CB ' ' CD2' ' A' ' 51' ' ' HIS . 5.3 t-80 -112.27 154.59 25.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.655 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.456 ' H ' ' CD2' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -131.38 141.2 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.445 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -120.11 144.45 47.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.64 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 61' ' ' LEU . 13.4 mt -140.85 138.16 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.543 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -138.46 111.6 7.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.3 mt -122.36 151.72 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.538 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -132.26 145.56 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 59.0 m-85 -119.86 156.62 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -33.69 73.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.73 160.33 21.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -59.08 118.08 5.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.282 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.557 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 3.8 t80 -93.88 140.8 29.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.434 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -101.33 111.7 24.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.1 t -107.28 69.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.4 t -94.88 31.1 1.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -164.5 116.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.417 ' CG ' HD11 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -82.21 46.14 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.407 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.2 mmp_? -119.15 -18.78 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.638 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.7 t80 -77.06 -37.47 54.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.564 ' CD2' HD12 ' A' ' 16' ' ' LEU . 26.2 m-85 -90.66 12.66 18.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.407 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 67.0 m-20 -67.08 106.51 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.474 HD23 ' CB ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -108.94 136.69 48.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 3.1 m -121.58 164.13 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 6.6 t -85.82 118.41 70.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.82 13.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 111.046 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.2 p -112.81 -20.66 11.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 17.6 ttt85 -133.71 143.64 48.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.242 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 56.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.63 138.02 49.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 28.4 m170 -102.67 147.82 26.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.9 m-85 -126.32 128.35 46.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.97 101.41 44.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.618 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.566 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.6 Cg_endo -74.95 164.79 32.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -96.4 125.09 40.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.417 HD11 ' CG ' ' A' ' 73' ' ' GLN . 13.1 mt -85.39 129.2 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.11 133.03 38.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.53 125.01 8.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -40.48 89.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.82 -47.15 83.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.585 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 19.7 t80 -71.61 -33.83 69.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.13 -34.79 61.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -25.04 65.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 69.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.22 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.07 -175.05 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 120.31 96.3 1.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 51.71 67.72 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.496 HG21 ' CE ' ' A' ' 45' ' ' LYS . 14.4 m -141.07 164.41 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.5 tt -105.36 147.23 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.4 mp0 -133.07 123.35 25.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.598 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 9.5 t90 -135.29 154.74 51.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 107.997 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.598 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.06 173.83 5.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 111.084 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.16 121.49 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 0.731 . . . . 0.0 110.391 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.555 ' HB2' ' CG ' ' A' ' 43' ' ' PHE . 4.4 t80 . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.588 ' CE1' HD11 ' A' ' 9' ' ' ILE . 17.0 t80 -78.19 101.74 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.408 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.1 OUTLIER -133.56 118.32 18.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.995 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.588 HD11 ' CE1' ' A' ' 7' ' ' PHE . 39.6 mt -110.93 135.09 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.61 111.16 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.2 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.38 163.32 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -87.5 -25.67 23.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 8.4 m-80 -118.71 138.55 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 10.0 m-85 -132.81 141.86 48.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.618 ' CZ ' ' CD2' ' A' ' 61' ' ' LEU . 25.7 m-85 -120.4 123.57 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 76' ' ' PHE . 1.6 mm? -106.0 132.19 52.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -120.64 121.49 38.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.58 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 9.5 m-85 -109.01 101.75 45.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.06 135.59 19.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.4 tttt 39.47 53.61 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.7 t -112.45 123.38 50.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 108.317 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.62 13.38 8.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.21 134.91 47.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.413 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.3 p -86.56 162.51 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -69.81 -28.19 65.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.357 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -47.64 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.413 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 4.3 m120 -67.57 -43.83 79.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.426 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.75 -35.87 79.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.3 tm? -69.34 -41.5 76.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -44.67 75.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.496 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 32.2 mt-30 -68.47 -48.12 65.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 HG21 ' CD1' ' A' ' 62' ' ' ILE . 3.4 mm -62.69 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.504 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 52.2 m -62.88 -38.77 92.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -81.87 -7.06 59.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.61 118.28 17.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.58 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.76 161.88 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.535 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.9 OUTLIER -148.16 153.59 41.51 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 -2.85 13.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.527 1.804 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.569 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -115.26 -105.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.467 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.569 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -170.6 136.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -90.39 119.23 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.381 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -96.61 -82.92 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.459 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 53.7 t80 -103.02 153.11 20.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.7 mt -143.61 116.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.48 ' HE2' ' CG2' ' A' ' 110' ' ' VAL . 0.0 OUTLIER -119.18 126.21 51.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 34.1 mt -128.81 114.47 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 40.1 t -125.77 138.45 53.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 108.345 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttp-105 -103.19 141.63 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -149.06 133.71 17.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 mp -98.65 135.18 40.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -81.6 157.72 24.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.544 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.41 -5.45 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -81.16 -1.32 44.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.371 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.42 90.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.03 133.67 24.9 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.531 0.783 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.27 7.76 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.426 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 4.2 t-80 -115.85 155.3 28.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -132.36 135.34 46.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.426 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -113.32 143.06 45.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.58 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.4 mt -142.49 137.07 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.618 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 1.8 tm? -138.68 109.78 6.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.463 ' CD1' HG21 ' A' ' 32' ' ' ILE . 5.2 mt -120.05 148.46 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.459 ' CG ' ' HB3' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -137.21 116.82 12.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -90.4 155.96 18.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -33.4 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.42 158.07 16.21 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -59.34 112.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.416 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 3.7 t80 -88.3 139.26 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.47 109.58 21.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -106.75 69.86 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.353 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.408 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.8 t -96.26 31.57 2.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -162.55 126.96 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.243 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 3.4 pt20 -88.16 36.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.455 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -116.18 -14.0 11.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.308 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.58 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.4 t80 -77.31 -40.38 44.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CD2' HD13 ' A' ' 16' ' ' LEU . 27.9 m-85 -90.18 14.05 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.934 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.455 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 66.0 m-20 -65.84 106.23 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -109.03 136.56 48.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.564 HG13 ' CD2' ' A' ' 86' ' ' HIS . 2.9 m -123.47 163.93 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 6.0 t -85.9 119.37 71.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -4.4 15.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.426 1.75 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.06 -20.3 12.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.2 ttm180 -133.41 143.7 49.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.25 54.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.01 134.69 48.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 79' ' ' VAL . 27.3 m170 -102.01 146.76 27.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.661 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.5 m-85 -126.43 132.34 51.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.67 101.11 50.38 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 109.596 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.58 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 161.95 37.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.39 123.62 32.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 9.7 mt -87.19 129.14 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -135.24 132.72 38.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.87 113.39 4.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.265 179.996 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.497 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 19.4 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -46.17 84.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.5 m -58.34 -41.75 85.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.503 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 9.1 t80 -70.17 -35.7 74.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 104' ' ' ILE . 70.4 mt -66.32 -25.53 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -78.71 -29.71 45.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.574 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -72.31 58.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -82.72 -179.91 7.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 140.17 99.42 0.41 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 8.8 m-20 63.37 33.89 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.48 ' CG2' ' HE2' ' A' ' 45' ' ' LYS . 2.6 m -117.3 167.94 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.47 ' HB2' ' CE ' ' A' ' 25' ' ' LYS . 5.0 tt -104.29 136.17 44.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.211 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.438 ' N ' HD23 ' A' ' 111' ' ' LEU . 13.7 tt0 -121.43 133.58 55.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.677 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.0 t90 -141.47 153.67 45.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.677 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 57.11 -179.42 0.72 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.02 131.59 53.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 110.406 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.497 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 32.2 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 11.2 t80 -79.0 103.1 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.92 109.82 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.4 mt -102.51 133.51 46.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.69 110.47 9.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.32 163.64 27.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -23.89 23.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -114.56 136.2 53.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -133.17 133.49 42.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 35.3 m-85 -119.6 126.19 50.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.556 HD11 ' CD2' ' A' ' 76' ' ' PHE . 1.7 mm? -104.72 131.6 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -119.54 131.42 55.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 2.1 m-85 -123.35 103.51 35.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.91 134.61 18.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 39.63 58.19 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -112.02 124.66 52.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.143 . . . . 0.0 108.354 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -86.18 10.48 14.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 tp -71.21 134.47 46.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.455 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.0 p -86.89 161.97 17.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.365 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.34 -28.83 66.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.18 -47.62 73.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 2.9 m120 -68.29 -44.07 76.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 32' ' ' ILE . . . -67.42 -35.95 80.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.3 tm? -67.91 -47.69 68.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -44.05 91.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' CB ' HD23 ' A' ' 78' ' ' LEU . 51.5 mt-30 -65.09 -36.25 83.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 28' ' ' ALA . 6.1 mm -65.43 -33.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.507 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.77 -41.06 92.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.439 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -74.32 -12.37 60.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -73.49 115.14 12.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.63 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -87.08 161.95 17.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.457 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -147.54 155.87 45.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.02 -6.26 17.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.549 1.815 . . . . 0.0 110.95 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.613 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -111.93 -107.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.613 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t30 -170.69 143.92 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -91.09 118.36 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.25 -63.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 61.5 t80 -137.23 161.14 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.56 HD12 ' CE3' ' A' ' 113' ' ' TRP . 39.1 mt -136.31 135.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -128.41 108.07 10.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 50.2 mt -114.49 115.02 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 m -124.97 138.83 54.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -96.93 144.17 27.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 57' ' ' HIS . 25.0 tp10 -145.91 139.38 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 50' ' ' LEU . 7.5 mp -125.22 135.85 52.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -91.34 158.11 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.96 -4.89 18.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -80.09 -2.32 43.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.66 6.7 89.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 6.5 pt-20 -95.93 122.8 57.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.84 8.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 7.1 t-80 -116.18 153.66 31.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.449 ' H ' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -132.59 140.38 48.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.441 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -124.25 137.3 54.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -135.23 139.85 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.083 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -138.48 111.02 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.5 mt -117.33 146.62 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.572 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -131.57 119.17 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.353 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -93.76 156.82 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.97 -33.68 74.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.08 163.15 21.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.159 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -59.43 119.33 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.55 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 5.0 t80 -97.48 142.47 29.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.422 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -102.78 115.72 31.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 12.7 t -111.98 69.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 108.328 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 71' ' ' THR . 0.7 OUTLIER -93.18 29.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -164.6 115.92 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.47 ' CB ' HD13 ' A' ' 91' ' ' ILE . 2.8 mt-30 -82.03 48.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.98 -18.48 8.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.4 t80 -76.88 -38.75 53.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.556 ' CD2' HD11 ' A' ' 16' ' ' LEU . 22.0 m-85 -88.77 13.17 13.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -66.66 109.2 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -110.15 137.76 47.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 m -122.91 164.22 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 8.1 t -85.55 118.4 70.6 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -1.91 11.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.434 1.755 . . . . 0.0 111.017 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.1 p -114.25 -20.67 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.1 OUTLIER -133.63 144.41 49.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.3 t -77.07 55.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.067 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.35 136.62 50.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -102.09 147.59 26.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.638 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.0 m-85 -126.31 131.52 51.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.76 101.51 44.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.0 157.82 42.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.394 1.734 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -87.5 126.56 34.98 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.47 HD13 ' CB ' ' A' ' 73' ' ' GLN . 5.7 mt -94.71 120.19 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -135.58 132.46 37.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.71 128.14 9.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.978 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.52 -39.68 88.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -46.68 84.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 103' ' ' TYR . 1.3 t80 -70.77 -32.96 70.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.8 mt -60.61 -29.32 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.569 1.168 . . . . 0.0 109.349 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.15 -25.11 62.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -74.01 67.94 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -83.06 -175.79 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.43 69.53 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 72.6 74.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.85 164.98 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.5 tt -105.08 138.95 40.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 43' ' ' PHE . 15.6 tt0 -122.62 132.79 54.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.56 ' CE3' HD12 ' A' ' 44' ' ' ILE . 30.5 t90 -139.57 149.47 43.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.429 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 68.4 -179.13 21.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.3 116.45 23.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 0.707 . . . . 0.0 110.421 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 63' ' ' GLN . 4.6 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.9 t80 -79.01 102.4 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -132.6 114.42 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.508 HG22 ' CE2' ' A' ' 14' ' ' TYR . 29.3 mt -103.89 134.16 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 111.84 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.42 27.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -82.82 -35.62 26.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -113.04 138.98 49.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.508 ' CE2' HG22 ' A' ' 9' ' ' ILE . 7.9 m-85 -130.33 142.18 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.587 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 6.7 m-85 -120.51 126.92 51.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.581 ' CB ' ' HH ' ' A' ' 18' ' ' TYR . 2.0 mm? -103.52 130.61 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 m -118.77 117.22 28.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.581 ' HH ' ' CB ' ' A' ' 16' ' ' LEU . 6.8 m-85 -110.2 99.18 38.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.9 144.59 30.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 7.9 mttt 39.06 35.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.1 t -100.72 117.02 33.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 108.39 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -87.25 15.22 6.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 tp -67.29 138.42 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.425 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 8.3 p -86.51 162.99 17.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.65 -28.4 64.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -66.45 -47.61 72.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.931 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.425 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 2.4 m120 -67.23 -43.98 80.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.87 -33.88 74.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.538 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.3 tm? -69.11 -44.36 72.59 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 37.4 t -67.87 -45.56 74.18 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.525 1.141 . . . . 0.0 109.955 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 33.5 mt-30 -65.26 -47.63 76.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.9 mm -65.12 -46.14 92.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 55.2 m -62.42 -36.27 81.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.385 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 30' ' ' SER . 22.5 m120 -80.15 -12.71 59.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.191 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.26 115.91 14.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.517 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.24 161.87 27.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.933 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.5 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 1.3 t -148.06 152.14 39.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.07 -1.46 11.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -111.63 -107.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.391 1.057 . . . . 0.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.561 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.4 OUTLIER -171.62 129.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 8.1 mtpp -87.86 119.57 28.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.518 ' CD1' ' N ' ' A' ' 65' ' ' GLU . 5.8 mp -94.47 -88.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 112' ' ' GLU . 44.0 t80 -103.09 155.88 18.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 112' ' ' GLU . 80.2 mt -142.12 115.33 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -115.9 128.61 55.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 39.2 mt -126.92 116.18 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.79 139.8 53.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 57' ' ' HIS . 12.9 ttp180 -96.78 140.56 31.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 57' ' ' HIS . 22.1 tt0 -131.2 132.03 44.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -100.03 135.84 40.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.435 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 24.5 m170 -88.43 155.97 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.632 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -6.77 51.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -87.54 -1.36 57.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.2 6.16 81.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 12.4 pt-20 -96.3 131.26 28.94 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.53 31.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.462 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 4.6 t-80 -139.24 146.78 40.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.534 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -124.57 143.49 50.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.462 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -123.49 148.28 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.677 179.916 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 16' ' ' LEU . 4.4 mt -141.24 142.51 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.587 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -139.24 111.79 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.3 mt -115.47 154.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.574 ' OE1' ' CE1' ' A' ' 116' ' ' PHE . 3.3 tt0 -130.72 116.05 17.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.499 ' CD1' HG21 ' A' ' 39' ' ' THR . 72.9 m-85 -93.06 149.84 20.94 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.465 1.103 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.518 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.88 -34.56 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.92 168.7 22.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -58.65 106.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.465 ' CD2' ' CE2' ' A' ' 64' ' ' PHE . 12.9 t80 -87.23 138.94 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.536 HD21 ' N ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -97.17 127.76 43.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.536 ' N ' HD21 ' A' ' 69' ' ' ASN . 6.4 t -126.03 68.66 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.3 t -93.66 29.02 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -153.98 125.42 7.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.475 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 2.2 pt20 -89.26 31.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.457 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 9.0 mtm180 -118.67 -11.87 9.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.2 t80 -77.88 -21.65 50.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.423 ' CG ' HD11 ' A' ' 16' ' ' LEU . 30.2 m-85 -113.12 13.9 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.457 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.7 m-20 -66.15 105.07 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.504 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -104.05 136.76 43.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.459 HG11 ' CG ' ' A' ' 86' ' ' HIS . 4.0 m -120.69 163.7 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.4 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.9 t -85.93 119.16 71.64 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -2.76 12.95 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.3 p -112.29 -20.78 11.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.8 143.6 48.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -76.15 56.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.64 141.35 50.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.179 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.459 ' CG ' HG11 ' A' ' 79' ' ' VAL . 28.4 m170 -108.52 148.27 30.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.54 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 18.1 m-85 -126.19 133.27 51.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.86 101.04 42.52 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.587 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 165.87 30.36 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.55 125.41 40.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 11.1 mt -93.7 122.02 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.4 133.3 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.247 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.08 119.82 5.55 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.945 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.547 HG23 ' CZ ' ' A' ' 116' ' ' PHE . 17.5 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -40.61 97.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -49.76 75.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.62 -34.28 77.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 54.0 mt -63.89 -41.35 92.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.397 1.061 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.76 -29.04 68.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.13 74.93 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -82.39 178.11 8.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.447 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 133.03 98.18 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 58.6 m-20 63.45 36.09 11.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.551 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -120.62 167.04 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.551 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 1.1 tt -128.7 115.74 18.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -106.49 144.72 32.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.561 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.8 t90 -137.8 146.25 43.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.561 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 68.91 -167.15 46.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.15 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.5 m -126.37 128.58 47.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CE1' ' OE1' ' A' ' 63' ' ' GLN . 43.5 t80 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.39 -176.2 35.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -129.89 158.02 40.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.7 t80 -74.03 103.05 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.06 109.69 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.437 HD12 ' CZ ' ' A' ' 7' ' ' PHE . 56.9 mt -107.45 135.97 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.46 110.86 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.68 27.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -23.01 24.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.48 ' HB2' ' CB ' ' A' ' 94' ' ' ALA . 4.9 m-80 -114.88 135.79 53.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.8 m-85 -133.57 135.57 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.579 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 49.5 m-85 -120.37 126.91 51.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -105.24 135.09 47.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.422 HG21 ' NE2' ' A' ' 57' ' ' HIS . 10.3 m -123.44 123.42 40.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 4.0 m-85 -117.02 102.33 52.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.04 139.98 24.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER 39.21 48.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.9 t -106.49 119.6 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 108.313 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.61 13.97 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -70.97 135.42 47.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.445 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 8.1 p -84.57 162.97 19.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.17 -28.9 65.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.12 -48.08 72.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.445 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 4.6 m120 -65.68 -44.06 87.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.97 -33.57 73.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -69.08 -43.3 74.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 51.1 m -68.24 -45.83 72.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.45 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 34.2 mt-30 -65.77 -46.85 77.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 7.8 mm -64.81 -45.47 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 54.8 m -63.66 -36.27 83.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.1 m120 -82.33 -10.25 59.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.45 118.74 17.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.629 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.1 pt20 -79.22 162.67 25.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.468 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -147.11 158.08 45.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.02 -7.12 18.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.595 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.2 -107.26 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.42 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.595 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.1 t30 -168.52 139.84 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -91.06 121.82 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.461 HD11 ' ND2' ' A' ' 40' ' ' ASN . 1.0 OUTLIER -98.95 -86.0 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -103.15 155.28 18.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.406 HD12 ' CZ3' ' A' ' 113' ' ' TRP . 95.9 mt -140.78 123.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -122.89 117.25 25.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 57.1 mt -119.81 116.42 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 t -128.35 138.68 52.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 108.321 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -96.95 143.16 28.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 57' ' ' HIS . 32.8 tt0 -146.26 132.27 19.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.2 mp -98.99 135.63 40.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.492 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 63.0 m170 -80.8 156.28 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -6.99 31.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.14 -1.48 53.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.99 5.17 86.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -96.1 132.53 26.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 0.762 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.91 7.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.492 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 4.2 t-80 -115.75 154.42 29.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 1.4 tm? -127.77 142.43 51.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.463 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -120.75 141.08 50.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.616 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.437 HG13 ' CD1' ' A' ' 58' ' ' LEU . 40.9 mt -139.75 138.54 38.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.579 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.42 111.06 7.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.1 mt -118.51 151.0 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.557 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.79 116.69 14.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -91.01 156.56 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -33.65 74.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.56 159.11 20.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -58.64 117.8 4.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.528 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 3.3 t80 -96.03 140.62 30.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.44 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.09 107.64 20.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 39.2 t -100.62 67.04 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.4 t -95.7 30.72 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.468 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -160.97 119.3 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -89.48 38.08 0.89 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.5 mtt-85 -115.7 -17.65 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.629 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.7 t80 -76.99 -39.84 48.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -87.98 12.44 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.2 m-20 -67.2 108.42 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -106.02 136.71 45.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.524 ' CG1' ' CG ' ' A' ' 86' ' ' HIS . 5.8 m -123.59 164.19 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' ARG . 29.3 t -85.52 118.59 70.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -3.2 13.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.1 p -113.2 -20.77 11.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 47.5 ttt180 -133.6 144.33 49.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.1 t -76.34 57.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.53 136.16 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.524 ' CG ' ' CG1' ' A' ' 79' ' ' VAL . 26.5 m170 -107.4 147.86 29.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -126.09 135.92 52.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.32 100.38 40.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 156.11 42.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -95.68 120.03 35.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 mt -84.94 133.51 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -135.15 133.29 39.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.76 122.98 7.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 13' ' ' ASN . . . -77.24 113.36 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -5.86 38.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.46 ' HB3' ' CB ' ' A' ' 99' ' ' ASP . 3.2 m -96.18 176.45 6.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.0 t -128.3 -65.03 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -80.2 -26.03 39.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 96' ' ' SER . 11.2 t70 -47.0 -24.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.508 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 22.0 m -67.65 -36.62 76.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -66.31 -38.74 88.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.7 m -57.5 -47.14 82.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -71.34 -33.63 69.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 27.7 mt -59.61 -33.37 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.65 -30.2 70.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -74.87 73.37 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.02 -176.82 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.91 96.81 0.54 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.81 70.1 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.483 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -140.84 164.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 5.8 tt -104.87 125.21 50.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.85 124.22 49.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.406 ' CZ3' HD12 ' A' ' 44' ' ' ILE . 10.7 t90 -138.48 142.9 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.55 175.19 17.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -123.63 124.43 42.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.557 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 5.6 t80 -79.76 150.12 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.3 OUTLIER -150.13 116.6 5.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.3 mt -82.34 113.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.03 110.41 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 92.96 165.89 38.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.312 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.92 158.36 29.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -129.78 137.15 50.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 9.7 t80 -78.69 102.36 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.88 109.83 9.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 109.947 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.519 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 45.1 mt -101.49 133.81 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.12 111.15 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.39 28.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -85.35 -27.08 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 25.9 m-80 -117.46 143.99 45.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.7 m-85 -132.99 141.71 48.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 24.9 m-85 -120.36 122.56 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.51 HD12 ' CD2' ' A' ' 76' ' ' PHE . 1.5 mm? -104.17 129.39 51.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -120.08 122.59 41.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 89' ' ' PRO . 2.8 m-85 -114.83 103.45 54.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.0 137.3 21.53 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.449 1.763 . . . . 0.0 111.02 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 38.45 42.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 9.1 t -96.62 120.95 37.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.63 13.19 9.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 15.2 tp -71.05 135.07 47.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.432 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 8.0 p -84.24 161.5 20.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.43 -28.81 66.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -47.63 74.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 2.4 m120 -67.09 -43.41 82.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.376 1.047 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.494 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.42 -35.78 78.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.1 tm? -69.27 -41.45 76.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.42 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -68.35 -45.6 72.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.059 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -67.33 -47.94 69.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.461 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 8.5 mm -62.8 -45.58 98.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 53.4 m -64.69 -38.96 92.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.1 m120 -80.45 -9.84 59.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.372 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.526 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -73.78 118.1 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.615 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.96 162.89 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.475 ' OG1' HG21 ' A' ' 39' ' ' THR . 0.2 OUTLIER -147.23 160.31 39.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.98 -25.66 11.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -96.73 -100.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.387 1.055 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.564 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -174.38 140.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -91.17 122.52 33.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.401 HD13 ' ND2' ' A' ' 40' ' ' ASN . 1.2 tp -97.19 -85.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 49.3 t80 -103.27 157.3 17.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 95.3 mt -142.39 116.32 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -112.45 127.85 56.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 89.0 mt -128.53 115.58 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.5 t -128.75 138.49 52.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 108.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -99.68 143.31 30.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -145.67 134.77 22.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -98.2 134.48 41.18 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.478 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 39.8 m170 -83.25 153.15 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.567 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.06 -6.87 48.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.403 1.064 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -83.64 1.53 41.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 1.02 89.56 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -96.68 136.32 21.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.93 9.65 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.507 1.793 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.478 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 6.0 t-80 -111.48 155.16 23.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -133.98 137.87 45.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.421 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -121.01 140.81 51.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.645 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.493 HD11 ' CE1' ' A' ' 18' ' ' TYR . 40.0 mt -142.42 139.31 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.577 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.3 110.56 7.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.5 mt -117.68 149.03 20.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.86 118.26 15.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.271 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -90.77 157.78 17.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -33.6 71.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.39 1.056 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.85 160.76 22.42 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -59.01 110.91 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.777 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.512 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 3.0 t80 -88.55 141.56 28.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.452 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.65 117.95 35.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.2 t -116.23 69.84 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.1 t -92.71 29.79 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -163.4 120.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.45 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 1.1 mt-30 -86.85 43.9 1.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 3.8 mtt180 -116.39 -17.97 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.615 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.97 -40.09 48.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' A' ' 16' ' ' LEU . 17.3 m-85 -87.85 12.92 11.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.2 m-20 -66.84 105.69 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.494 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -104.44 136.73 43.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.538 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.0 m -124.3 164.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.2 t -84.92 118.83 71.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.821 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.6 p -112.23 -21.12 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.88 144.8 49.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.248 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -76.55 56.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.09 134.3 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.538 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 21.0 m170 -105.81 145.61 30.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -126.39 134.87 50.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.18 101.64 48.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.549 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.57 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.06 159.38 41.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.39 123.88 32.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 19.9 mt -91.15 126.6 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -135.39 132.99 38.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.54 114.18 4.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.544 1.153 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.28 113.58 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -61.02 -149.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.545 ' O ' ' CB ' ' A' ' 97' ' ' SER . 95.0 p -89.73 142.5 27.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.7 OUTLIER 155.26 145.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 p -80.51 -6.67 58.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.95 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -45.17 -26.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.435 ' N ' ' C ' ' A' ' 98' ' ' SER . 18.5 m -67.55 -42.01 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -61.02 -39.58 90.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -48.79 78.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.19 -34.6 77.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.456 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 29.5 mt -66.37 -39.48 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.64 -25.41 64.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -74.74 68.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.92 177.8 8.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.76 95.58 0.42 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 61.06 34.32 19.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 0.815 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.31 165.66 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.3 tt -105.1 146.62 28.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -128.48 127.8 43.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.337 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.651 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.5 t90 -140.16 153.42 46.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.651 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.56 177.07 10.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.53 118.74 28.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 0.714 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.506 ' HB2' ' CG ' ' A' ' 43' ' ' PHE . 5.0 t80 -79.77 148.61 31.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -95.08 74.23 3.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 110.341 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.49 HG13 ' CD1' ' A' ' 116' ' ' PHE . 31.8 mt -79.25 112.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.5 142.88 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.75 135.44 3.72 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.122 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.536 0.786 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.95 -179.46 26.46 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.597 1.185 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.01 152.8 50.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.58 ' CE1' HD13 ' A' ' 9' ' ' ILE . 26.3 t80 -74.08 102.3 4.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.99 115.74 15.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.58 HD13 ' CE1' ' A' ' 7' ' ' PHE . 27.8 mt -109.26 134.83 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.08 112.48 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.09 163.56 28.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.89 -32.42 25.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -114.16 144.8 42.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 7.0 m-85 -133.65 140.86 47.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 111.075 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 18.8 m-85 -120.73 122.4 40.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.484 HD13 ' CG ' ' A' ' 76' ' ' PHE . 1.5 mm? -104.97 139.96 38.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.409 HG21 ' NE2' ' A' ' 57' ' ' HIS . 14.1 m -127.62 119.06 25.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 16.4 m-85 -107.76 101.09 38.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.0 135.57 19.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 39.17 50.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.345 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.2 t -108.15 123.26 48.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.362 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.73 13.83 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 tp -71.11 134.58 47.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.446 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 8.2 p -85.49 162.57 18.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 110.45 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.31 -29.19 65.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.5 -47.88 74.49 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 110.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.4 m120 -66.5 -44.51 82.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.489 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.47 -34.6 77.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.38 -41.84 75.98 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -68.93 -45.07 71.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 110.045 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.482 ' CB ' HD23 ' A' ' 78' ' ' LEU . 7.2 mt-30 -67.69 -47.96 67.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.489 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 4.3 mm -62.74 -46.37 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.491 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 53.5 m -63.87 -35.27 80.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.455 ' N ' HD21 ' A' ' 34' ' ' ASN . 1.6 m-80 -83.92 -8.62 59.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.54 118.35 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 1.4 mt-30 -73.56 163.11 28.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.467 ' CG2' ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -147.2 158.01 45.03 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 110.444 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.422 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.04 -25.53 11.72 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.783 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.57 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.17 -101.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.57 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.6 OUTLIER -171.26 135.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HG2' ' CE2' ' A' ' 64' ' ' PHE . 6.5 mtpp -86.64 119.83 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.37 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.9 -86.05 0.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CE2' HG23 ' A' ' 104' ' ' ILE . 54.8 t80 -103.7 155.77 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.9 mt -137.75 116.21 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.561 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -112.36 126.68 55.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 78.1 mt -129.1 114.82 33.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.437 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 15.2 t -126.92 139.39 53.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -97.07 142.35 29.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -140.06 134.0 30.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -98.42 132.95 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.6 1.188 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 37.2 m170 -82.68 153.77 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 109.643 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.14 -6.78 47.96 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -85.97 -1.55 57.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.02 4.37 81.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 19.1 pt-20 -96.4 133.56 24.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.066 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 4.4 t-80 -112.45 155.1 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.415 1.072 . . . . 0.0 109.583 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.46 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -131.77 137.83 48.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.431 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -116.04 144.91 43.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.566 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.474 HD11 ' CE1' ' A' ' 18' ' ' TYR . 51.9 mt -142.49 135.89 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.82 110.39 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.429 HD12 ' CG2' ' A' ' 60' ' ' ILE . 1.9 mt -118.47 151.92 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.567 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.06 114.93 12.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.508 ' CE2' ' HG2' ' A' ' 41' ' ' LYS . 35.3 m-85 -91.08 156.83 17.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -33.66 74.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.2 157.29 18.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.127 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -59.76 115.62 3.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.53 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.8 t80 -91.54 140.31 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.511 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.49 118.17 34.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.619 1.2 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.3 t -115.73 70.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.4 t -94.43 31.56 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.424 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -161.54 128.66 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.539 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 7.0 mt-30 -88.81 33.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.449 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -116.52 -12.51 10.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.0 t80 -77.42 -27.77 52.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.484 ' CG ' HD13 ' A' ' 16' ' ' LEU . 32.6 m-85 -104.5 13.55 31.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.449 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 65.7 m-20 -66.2 105.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.482 HD23 ' CB ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -106.18 136.94 45.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.491 HG13 ' CD2' ' A' ' 86' ' ' HIS . 3.5 m -122.19 164.74 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' ARG . 34.8 t -85.08 119.25 72.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.949 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -3.18 13.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.6 p -114.0 -20.77 10.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.9 ttm180 -133.69 145.27 49.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.03 54.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.77 135.59 51.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.491 ' CD2' HG13 ' A' ' 79' ' ' VAL . 25.6 m170 -105.66 146.8 29.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -126.37 134.18 51.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.539 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -112.84 99.51 48.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.508 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.5 Cg_endo -74.86 162.31 37.61 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.472 1.775 . . . . 0.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -91.81 123.15 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 7.4 mt -85.43 132.86 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -135.25 133.03 38.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.346 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.7 114.52 4.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.25 113.36 22.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -155.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.538 ' O ' ' CB ' ' A' ' 97' ' ' SER . 8.4 t -89.69 142.95 27.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 155.38 142.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.7 m -79.28 -7.03 57.98 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 110.0 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -44.99 -26.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.558 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 16.5 m -67.95 -43.68 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -62.08 -43.5 98.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -57.6 -48.5 79.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.158 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.561 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 26.8 t80 -66.16 -36.03 82.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 111.046 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.568 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 58.8 mt -65.13 -37.49 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -30.56 68.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -75.0 72.54 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -82.99 172.19 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.65 95.14 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 61.34 33.06 19.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 0.76 . . . . 0.0 109.237 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.487 HG22 ' CE ' ' A' ' 45' ' ' LYS . 1.2 m -119.36 166.34 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.442 ' HB2' ' CD ' ' A' ' 25' ' ' LYS . 6.2 tt -104.88 147.4 27.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.373 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.415 ' N ' HD22 ' A' ' 111' ' ' LEU . 33.3 mt-10 -133.73 130.71 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.676 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 11.3 t90 -138.83 152.75 48.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 108.048 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.676 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.22 179.78 10.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -123.38 121.08 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 6.2 t80 -79.71 146.37 32.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.3 OUTLIER -148.65 124.15 10.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.3 mp -79.58 135.84 24.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -74.71 166.83 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.25 -90.12 0.1 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.565 0.803 . . . . 0.0 110.342 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.79 146.28 11.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.03 157.76 43.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 0.755 . . . . 0.0 110.276 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.577 ' CZ ' HD13 ' A' ' 9' ' ' ILE . 9.4 t80 -79.2 102.33 8.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.82 115.83 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.938 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.577 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 27.1 mt -108.32 131.95 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.85 111.19 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.65 27.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HZ3' ' NE2' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -82.67 -33.25 27.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -114.43 141.22 47.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.462 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 7.2 m-85 -128.02 142.87 51.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.591 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 29.6 m-85 -120.19 121.45 38.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -104.48 129.62 52.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -122.2 124.48 43.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.469 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 9.4 m-85 -113.1 102.14 54.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.53 19.2 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 tttm 39.96 53.1 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.2 t -113.6 125.8 54.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.323 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.15 15.19 6.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 tp -70.89 134.16 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.453 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.3 p -87.13 162.82 17.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 8.2 pttt -70.63 -29.33 65.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -48.11 72.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.2 m120 -65.75 -44.05 87.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.02 -33.23 73.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 33' ' ' THR . 0.8 OUTLIER -69.01 -42.27 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.403 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 9.0 t -68.44 -45.57 72.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.495 ' CB ' HD23 ' A' ' 78' ' ' LEU . 13.3 mt-30 -66.4 -47.55 72.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.107 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.419 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.9 mm -63.91 -45.25 97.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 43.4 m -63.67 -37.74 88.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.9 m120 -82.94 -7.1 59.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.563 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.6 OUTLIER -74.43 119.54 18.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.0 mt-30 -82.25 161.19 22.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.493 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -148.82 156.43 41.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.493 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.461 1.769 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.602 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -116.26 -108.02 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.438 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.602 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t30 -173.16 140.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -89.85 118.89 29.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 0.8 OUTLIER -90.93 -54.8 3.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.404 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 44.7 t80 -137.52 156.43 48.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.3 mt -140.0 117.19 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' CE ' HG23 ' A' ' 110' ' ' VAL . 5.6 tptt -115.95 126.8 54.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 53.3 mt -128.7 115.99 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.8 t -129.24 138.47 51.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 108.346 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -98.4 143.28 29.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' HB3' ' ND1' ' A' ' 57' ' ' HIS . 8.1 tp10 -141.53 134.68 29.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.9 135.26 39.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.429 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 40.9 m170 -84.28 155.5 22.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.558 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.97 -6.8 49.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -86.66 0.06 55.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.81 5.01 86.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.429 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 21.4 pt-20 -96.25 132.67 26.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 123.5 7.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.452 1.764 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.431 ' ND1' ' HB3' ' A' ' 49' ' ' GLU . 3.6 t-80 -111.78 155.59 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.647 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.7 134.8 45.25 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.418 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -118.58 142.92 47.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.551 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 61' ' ' LEU . 39.7 mt -142.73 140.5 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.591 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.25 110.69 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.6 mt -117.07 149.93 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.527 ' NE2' ' HZ3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -135.97 116.14 13.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 110.3 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -91.91 156.08 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -33.45 73.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.32 156.37 19.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -59.07 117.24 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.462 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 4.9 t80 -95.66 142.19 28.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.82 114.21 28.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.4 t -112.39 70.69 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 108.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.5 t -95.27 31.07 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.417 ' ND2' ' HG3' ' A' ' 74' ' ' ARG . 29.1 t-20 -168.54 114.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.406 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -75.85 56.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.417 ' HG3' ' ND2' ' A' ' 72' ' ' ASN . 2.7 mmt85 -119.46 -29.05 5.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.8 t80 -74.07 -34.25 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CD2' HG12 ' A' ' 91' ' ' ILE . 27.8 m-85 -91.96 12.47 21.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 73.0 m-20 -66.81 109.02 2.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.495 HD23 ' CB ' ' A' ' 31' ' ' GLN . 1.3 mt -111.84 136.83 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.558 HG13 ' CD2' ' A' ' 86' ' ' HIS . 2.3 m -123.76 164.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.2 t -85.75 118.94 71.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -4.52 15.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.8 p -111.15 -20.6 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 80' ' ' SER . 22.6 tpp180 -133.1 142.91 48.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.2 p -76.23 56.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.053 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.28 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 79' ' ' VAL . 22.8 m170 -107.79 146.58 32.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.633 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.4 m-85 -126.36 133.27 51.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.53 102.97 53.39 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.176 . . . . 0.0 109.623 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.94 162.26 37.55 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.502 1.791 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -87.42 122.26 30.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.549 HG12 ' CD2' ' A' ' 76' ' ' PHE . 12.3 mt -90.64 126.28 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -135.2 133.03 38.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.24 114.06 4.88 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.33 113.43 22.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -124.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.543 ' O ' ' CB ' ' A' ' 97' ' ' SER . 19.7 m -98.93 142.63 30.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.9 p 156.53 133.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.6 m -80.17 -6.42 57.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -44.59 -26.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 98' ' ' SER . 16.4 m -68.62 -45.55 81.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -64.22 -41.28 97.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 t -57.56 -46.77 83.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.486 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 1.4 t80 -70.13 -38.91 75.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.6 mt -59.49 -27.31 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.45 -39.73 24.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -74.83 73.4 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -83.12 -163.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.36 99.16 1.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 61.28 39.56 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -119.22 163.47 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 5.4 tt -105.43 125.14 50.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -110.24 128.01 55.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.597 1.186 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -140.86 133.18 28.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.937 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.25 -175.46 54.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.467 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -123.62 131.58 53.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 0.716 . . . . 0.0 110.385 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 63' ' ' GLN . 13.2 t80 -79.92 145.92 32.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 111.078 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.488 ' HB2' ' CD2' ' A' ' 42' ' ' LEU . 1.3 mt-30 -140.41 130.95 25.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.0 mt -96.74 117.51 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.77 122.92 21.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.09 -129.17 9.48 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.451 1.094 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.336 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.5 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.37 147.73 6.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.371 1.044 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -127.87 151.61 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.239 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.6 t80 -74.55 101.68 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.42 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -133.58 119.03 18.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.06 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.536 HD12 ' CZ ' ' A' ' 7' ' ' PHE . 37.6 mt -114.12 136.18 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 110.65 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.36 163.24 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -84.49 -26.35 28.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.428 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 6.2 m-80 -117.8 141.73 48.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 70' ' ' CYS . 4.6 m-85 -133.37 143.38 48.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.526 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 24.3 m-85 -119.77 125.0 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD13 ' CG ' ' A' ' 76' ' ' PHE . 1.4 mm? -104.86 133.51 49.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 m -121.07 117.94 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 15.6 m-85 -109.76 102.19 49.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -75.04 135.03 18.46 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER 39.71 52.31 2.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.8 t -109.99 123.39 49.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.267 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 14.57 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 tp -70.98 134.52 47.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.434 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 6.4 p -86.89 165.06 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' CB ' ' CG2' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -71.11 -29.03 64.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -65.34 -48.52 72.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 8.1 m120 -66.76 -43.81 83.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.408 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.83 -32.87 73.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.11 -44.63 72.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -43.42 74.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.555 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 16.1 mt-30 -66.13 -48.1 71.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 16.8 mm -65.49 -45.28 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 51.1 m -63.66 -33.54 75.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.374 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -85.14 -9.82 57.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.3 118.67 17.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.065 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.602 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.0 tt0 -80.63 162.48 24.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.496 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -147.64 158.33 43.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.496 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.1 -5.22 16.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.591 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.9 -107.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.591 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.1 t30 -168.34 140.28 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -90.87 121.25 32.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' HA3' ' A' ' 114' ' ' GLY . 1.1 tp -96.8 -87.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.417 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 66.9 t80 -104.97 163.33 12.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.6 mt -141.23 128.7 21.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -121.35 108.49 13.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.455 ' CG2' ' CB ' ' A' ' 25' ' ' LYS . 91.2 mt -113.2 115.44 49.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.137 . . . . 0.0 109.384 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -132.41 138.62 47.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 108.317 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -96.98 143.12 28.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -139.53 133.88 31.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -98.42 135.15 40.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.417 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 41.7 m170 -84.39 155.57 22.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 109.557 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.99 -6.91 51.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -86.11 0.63 53.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.84 4.33 87.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.399 1.062 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.417 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 22.1 pt-20 -96.31 133.68 24.61 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.38 7.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 6.4 t-80 -111.99 153.25 27.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 0.0 109.602 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -128.92 137.31 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.421 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -119.89 141.85 49.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 61' ' ' LEU . 45.2 mt -141.0 139.09 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.526 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -138.37 110.05 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.401 ' N ' HD21 ' A' ' 61' ' ' LEU . 3.6 mt -115.93 151.07 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.441 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.74 116.68 14.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -91.38 156.41 17.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -33.66 74.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.59 155.44 17.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -58.91 114.33 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.489 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 4.1 t80 -92.68 142.28 27.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.425 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -100.34 107.4 19.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 14' ' ' TYR . 37.4 t -103.89 70.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.42 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 2.6 t -98.67 32.4 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -162.46 120.83 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.49 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 26.5 mt-30 -87.64 42.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.2 -21.32 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.241 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.6 t80 -76.54 -38.72 54.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CG ' HD13 ' A' ' 16' ' ' LEU . 26.5 m-85 -87.94 12.66 12.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -66.71 106.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.555 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.4 mt -109.3 136.91 47.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.439 HG13 ' CD2' ' A' ' 86' ' ' HIS . 2.7 m -123.35 163.48 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 8.5 t -86.65 116.68 66.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.975 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 1.74 7.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 p -108.66 -25.8 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.354 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 3.0 ptp180 -137.11 150.52 48.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.77 60.31 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.948 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.88 140.54 50.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.439 ' CD2' HG13 ' A' ' 79' ' ' VAL . 24.1 m170 -109.15 147.77 31.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.549 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 13.6 m-85 -126.17 132.95 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.14 100.18 48.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.93 159.23 41.85 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.1 122.22 31.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 19.9 mt -86.86 128.84 39.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -135.45 132.84 37.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.252 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.4 113.91 4.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.28 113.35 22.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -69.67 -133.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.563 ' O ' ' CB ' ' A' ' 97' ' ' SER . 52.6 p -93.39 142.54 27.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.952 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.0 OUTLIER 154.97 133.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 101' ' ' LYS . 84.3 p -79.8 -5.76 56.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.78 -26.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.493 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 12.8 m -67.61 -42.75 86.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -62.79 -48.08 80.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -57.99 -46.78 84.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -65.31 -33.8 76.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.2 mt -67.85 -32.34 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -70.9 -20.68 62.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -74.77 68.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.85 162.82 21.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 140.29 81.12 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.12 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 2.6 m-20 79.66 54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -141.03 168.28 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.465 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 1.6 tt -130.29 115.75 17.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.065 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.5 pm0 -110.0 145.88 36.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.655 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.6 t90 -129.9 153.22 48.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.008 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.655 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.91 -171.17 12.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 111.058 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.477 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.7 m -124.45 129.16 50.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.493 ' CZ ' HG22 ' A' ' 100' ' ' VAL . 19.8 t80 -80.0 148.46 31.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.6 OUTLIER -149.64 130.62 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.391 1.057 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.5 mp -87.48 111.41 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.69 99.17 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.98 -123.9 0.68 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.11 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 121' ' ' ARG . 4.0 ptm85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.95 96.2 2.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 ttt85 -114.53 158.06 22.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 0.798 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' CE1' HD12 ' A' ' 9' ' ' ILE . 27.8 t80 -77.41 102.16 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.412 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -133.01 115.29 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.944 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.568 HG21 ' CE1' ' A' ' 14' ' ' TYR . 60.0 mt -108.65 131.89 58.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 111.99 10.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.23 163.57 28.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.87 -34.47 33.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -114.17 147.88 38.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.568 ' CE1' HG21 ' A' ' 9' ' ' ILE . 5.4 m-85 -133.19 142.68 48.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.562 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 25.2 m-85 -120.4 121.78 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -104.29 129.33 52.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.0 m -122.1 118.24 28.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.526 ' OH ' ' CD1' ' A' ' 78' ' ' LEU . 15.0 m-85 -107.31 101.98 41.53 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.08 139.67 24.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 6.2 mtmt 39.89 47.05 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.402 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.9 t -110.53 121.0 44.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.227 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.61 15.62 6.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 tp -68.62 136.02 52.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.443 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.4 p -86.93 162.24 17.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 5.5 pttp -69.77 -29.07 66.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -47.59 75.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.271 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 2.9 m120 -68.03 -44.29 76.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -66.7 -36.2 81.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.6 tm? -69.13 -43.75 73.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -63.65 -44.67 93.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.488 ' CB ' HD22 ' A' ' 78' ' ' LEU . 5.8 mt-30 -70.4 -44.94 66.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.436 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.8 mm -61.52 -45.38 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.534 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 35.7 m -63.88 -34.21 77.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.2 m120 -84.83 -8.78 58.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.536 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.41 118.81 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.616 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 36.9 mt-30 -83.55 162.27 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.459 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -147.59 157.33 44.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.0 -6.39 18.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.603 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.47 -106.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.427 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -171.03 143.33 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -89.17 117.32 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.378 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.413 ' HG ' ' NE2' ' A' ' 117' ' ' GLN . 1.2 tp -92.26 -55.48 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.47 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 40.1 t80 -137.23 152.68 50.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -138.32 117.7 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -118.16 128.43 54.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 39.1 mt -128.37 115.31 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.4 ' SG ' ' CG1' ' A' ' 110' ' ' VAL . 46.9 t -127.53 137.02 52.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.354 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.456 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 17.5 ttt180 -103.98 141.75 35.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -141.21 133.57 28.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.429 ' N ' HD23 ' A' ' 50' ' ' LEU . 3.8 mm? -98.83 135.09 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.44 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 54.4 m170 -81.32 154.32 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -74.3 -6.67 49.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.346 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -86.17 1.39 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.61 3.83 88.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 12.8 pt-20 -96.51 133.05 25.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 148.56 35.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.072 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.45 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 5.8 t-80 -141.0 151.08 43.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.528 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.456 ' CD2' ' HG3' ' A' ' 48' ' ' ARG . 0.7 OUTLIER -128.71 140.17 51.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -124.06 140.07 53.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.599 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.503 HD13 ' CE1' ' A' ' 18' ' ' TYR . 58.6 mt -143.08 139.28 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.33 109.92 7.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.424 ' N ' HD23 ' A' ' 61' ' ' LEU . 3.1 mt -115.71 150.24 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.11 116.48 13.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.262 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -90.63 156.76 17.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.22 -33.88 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.37 158.03 19.66 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -59.32 113.82 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.483 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 4.1 t80 -92.35 138.8 31.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.401 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.64 107.19 19.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.1 t -105.79 70.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.531 1.144 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.2 t -93.2 29.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -159.25 120.41 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 21.8 mt-30 -87.16 42.65 1.04 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -116.78 -19.55 9.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.616 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.7 t80 -76.83 -39.24 51.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.494 ' CD2' HG12 ' A' ' 91' ' ' ILE . 27.4 m-85 -87.97 12.64 12.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -66.92 107.35 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.526 ' CD1' ' OH ' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -106.85 137.07 45.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.555 HG12 ' CD2' ' A' ' 86' ' ' HIS . 2.4 m -122.52 164.59 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 21.2 t -85.31 118.71 71.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.42 13.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.598 1.841 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 p -112.86 -20.71 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' SER . 2.6 ttt180 -133.56 144.51 49.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -76.7 55.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.8 140.23 51.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.555 ' CD2' HG12 ' A' ' 79' ' ' VAL . 27.0 m170 -107.59 147.93 29.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.564 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 22.2 m-85 -126.23 136.03 52.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.79 100.98 48.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.01 160.63 39.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -92.19 115.48 28.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.494 HG12 ' CD2' ' A' ' 76' ' ' PHE . 10.1 mt -86.91 127.56 40.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.15 132.91 38.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.88 114.49 4.57 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.2 113.52 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -138.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 97' ' ' SER . 7.8 t -89.71 143.13 27.05 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.598 1.186 . . . . 0.0 109.951 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.7 OUTLIER 156.99 132.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 101' ' ' LYS . 3.4 m -80.21 -7.39 58.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -45.69 -25.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.564 HG23 ' CZ ' ' A' ' 116' ' ' PHE . 16.0 m -67.45 -42.63 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.5 OUTLIER -62.67 -50.39 71.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.4 t -57.93 -49.32 77.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.949 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -62.39 -35.45 79.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 26.2 mt -67.22 -31.22 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.062 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.18 -29.27 60.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -74.67 69.56 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -83.09 172.16 12.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.39 96.7 0.14 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 61.44 34.48 18.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 0.0 109.368 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.4 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 1.0 OUTLIER -120.09 166.82 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.434 ' HB2' ' CD ' ' A' ' 25' ' ' LYS . 5.4 tt -104.66 143.93 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.416 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -127.74 129.94 47.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.221 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.605 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 18.5 t90 -138.24 152.26 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.605 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 63.49 -178.82 6.5 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.457 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -124.28 124.02 41.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 0.814 . . . . 0.0 110.371 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.582 ' CE1' ' HG2' ' A' ' 63' ' ' GLN . 19.1 t80 -79.87 147.74 31.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.3 OUTLIER -150.05 130.72 14.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.0 mp -93.11 121.83 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -74.51 -55.58 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 113.22 -164.52 12.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.72 -79.1 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -108.69 151.88 25.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 9.6 t80 -74.69 102.12 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 111.082 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.96 111.46 11.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.517 HD12 ' CZ ' ' A' ' 7' ' ' PHE . 19.8 mt -108.42 139.55 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.83 111.37 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.5 163.23 27.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -88.23 -25.83 22.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 7.4 m-80 -117.93 131.37 56.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 11.8 m-85 -126.42 142.82 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.593 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 20.8 m-85 -120.39 122.94 41.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.538 HD12 ' CD2' ' A' ' 76' ' ' PHE . 1.7 mm? -104.68 129.62 52.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.408 HG23 ' NE2' ' A' ' 57' ' ' HIS . 2.1 m -113.99 121.54 44.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 17.7 m-85 -111.95 102.96 54.81 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.468 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.03 136.89 20.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER 38.03 51.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.368 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.445 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 13.8 t -106.64 123.15 47.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -86.31 11.61 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 tp -71.34 134.21 46.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.478 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 9.2 p -85.13 159.22 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' A' ' 111' ' ' LEU . 0.7 OUTLIER -67.1 -29.45 69.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.06 -47.88 72.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.478 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 5.2 m120 -66.45 -43.27 86.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -65.81 -36.03 82.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.543 ' HG ' ' CD1' ' A' ' 111' ' ' LEU . 0.4 OUTLIER -69.22 -41.89 76.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -68.1 -45.33 74.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.478 ' CB ' HD22 ' A' ' 78' ' ' LEU . 58.3 mt-30 -66.98 -47.59 71.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 3.5 mm -63.76 -45.43 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.23 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 23.8 m -61.87 -33.84 74.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -84.38 -9.49 58.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.175 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -74.62 118.83 18.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.611 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.6 OUTLIER -79.08 162.5 25.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.491 ' OG1' HG23 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.47 156.95 45.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.345 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -74.93 -7.48 19.26 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.57 1.827 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -110.62 -107.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.39 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.585 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.9 OUTLIER -168.32 132.36 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 6.5 mtpp -87.07 118.67 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD2' ' HG3' ' A' ' 117' ' ' GLN . 0.9 OUTLIER -94.44 -84.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.382 1.052 . . . . 0.0 109.354 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 56.2 t80 -103.71 156.15 18.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' C ' ' A' ' 43' ' ' PHE . 87.6 mt -143.82 115.89 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 26.1 tptp -123.06 127.53 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 4.9 mt -126.12 115.62 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.418 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 27.2 t -116.06 138.95 50.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.343 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -96.87 141.52 29.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -149.47 134.26 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -98.7 135.85 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.6 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 59.5 m170 -82.71 156.99 23.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.653 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.52 -5.51 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -80.8 1.59 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.78 -0.5 86.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -96.12 137.94 21.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.44 0.729 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 123.34 7.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.6 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 4.3 t-80 -110.24 155.05 22.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -127.08 138.36 53.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.445 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -117.88 137.05 53.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.4 137.19 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.593 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 tm? -138.71 110.47 7.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.01 151.18 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' CG ' ' HB3' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -136.09 116.57 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -91.61 154.42 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -33.83 74.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.35 156.87 17.75 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -58.82 112.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 0.731 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.598 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 5.8 t80 -90.74 142.45 27.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.53 110.73 23.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 8.9 t -105.79 68.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.7 t -96.87 31.55 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 110.333 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -162.21 123.31 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.453 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 1.3 pt20 -89.83 38.08 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -115.45 -17.94 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.247 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 9.6 t80 -76.99 -38.85 52.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CD2' HD12 ' A' ' 16' ' ' LEU . 14.8 m-85 -88.31 13.01 12.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -66.44 106.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.513 ' CD1' ' OH ' ' A' ' 18' ' ' TYR . 1.1 mt -108.07 138.37 44.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.564 HG12 ' CD2' ' A' ' 86' ' ' HIS . 1.9 m -122.66 165.15 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 34.0 t -84.87 118.99 72.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.937 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.98 14.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.3 p -112.92 -20.59 11.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 80' ' ' SER . 7.1 ttm180 -133.64 144.93 49.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.93 55.53 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.74 142.79 51.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.564 ' CD2' HG12 ' A' ' 79' ' ' VAL . 27.6 m170 -108.5 147.67 31.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.586 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 19.8 m-85 -126.28 132.0 51.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.53 100.95 44.23 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.577 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.575 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.09 163.07 35.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -91.42 124.23 35.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 48.4 mt -83.83 126.23 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -135.39 132.27 37.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.07 113.78 4.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.46 113.21 22.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -149.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.5 OUTLIER -88.9 142.1 27.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.1 m 153.86 147.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER -80.26 -5.61 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.96 -27.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 98' ' ' SER . 17.7 m -67.68 -45.29 85.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.26 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -58.71 -39.61 81.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -45.0 86.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -70.74 -33.67 71.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 77.5 mt -67.82 -33.53 62.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.6 -22.9 59.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -74.97 68.28 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -82.67 154.05 25.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 148.46 100.31 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 33.6 m-20 64.29 36.18 9.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 108' ' ' GLY . 2.7 m -122.41 168.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.543 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -129.28 119.37 23.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -105.91 145.81 30.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.434 ' N ' ' HG2' ' A' ' 112' ' ' GLU . 12.4 t90 -140.5 140.8 35.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 108.035 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.47 -171.59 54.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -123.81 127.42 48.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 0.747 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.463 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 19.0 t80 -79.99 151.06 30.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.46 ' HG3' ' CD2' ' A' ' 42' ' ' LEU . 16.8 mm-40 -108.08 141.64 39.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.248 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.7 mm -97.0 155.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.86 90.3 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 112.0 -161.27 12.79 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.562 0.801 . . . . 0.0 110.24 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.76 58.16 0.69 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.76 138.2 48.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.0 t80 -78.61 102.17 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.406 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.94 116.06 15.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 22.7 mt -112.56 136.61 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 112.13 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.16 163.48 28.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.258 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -34.69 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -113.96 144.73 42.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 8.6 m-85 -132.94 143.49 49.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 15.2 m-85 -120.72 119.52 33.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -104.47 134.21 48.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.524 HG23 ' CD2' ' A' ' 57' ' ' HIS . 91.6 m -123.14 137.71 54.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.44 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 1.8 m-85 -123.5 101.95 36.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.9 21.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt 39.54 47.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.8 t -107.08 123.46 48.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.94 14.65 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.04 135.19 47.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.456 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.0 p -86.91 163.11 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.54 -29.34 65.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -47.38 74.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.4 m120 -67.29 -43.62 81.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' O ' ' HB ' ' A' ' 32' ' ' ILE . . . -67.23 -36.98 82.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.487 ' HG ' ' CD2' ' A' ' 111' ' ' LEU . 0.8 OUTLIER -68.98 -43.74 74.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.408 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 42.6 m -63.76 -45.19 90.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' CB ' HD22 ' A' ' 78' ' ' LEU . 37.4 mt-30 -68.34 -47.09 68.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.504 ' O ' ' HE2' ' A' ' 41' ' ' LYS . 9.6 mm -61.76 -44.97 99.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 99.9 m -62.31 -32.27 72.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.4 m120 -87.64 -8.09 56.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -73.9 117.72 16.01 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.607 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.8 mt-30 -81.21 160.5 24.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.495 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -148.87 156.81 40.98 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.0 -1.84 11.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.575 1.829 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.617 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -117.94 -108.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.617 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t30 -172.32 143.65 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -90.1 117.54 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.43 HD11 ' ND2' ' A' ' 40' ' ' ASN . 0.8 OUTLIER -87.31 -61.12 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 62.5 t80 -137.49 158.37 44.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.7 mt -136.72 129.35 44.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 3.0 tmtt? -127.4 110.56 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 53.2 mt -116.26 116.29 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.82 132.81 47.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.268 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 141.85 29.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 57' ' ' HIS . 26.3 tp10 -148.93 134.32 18.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 7.6 mp -97.22 135.27 39.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.549 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 54.8 m170 -82.65 157.63 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -5.71 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -81.32 -0.45 41.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.77 2.92 90.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -96.14 133.69 24.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 0.789 . . . . 0.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 123.58 7.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.549 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 1.7 t-80 -120.85 155.62 33.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 tt -135.41 143.23 45.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.438 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -116.09 150.6 37.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.581 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.4 mt -142.6 137.02 28.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.556 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -138.16 110.4 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.426 ' N ' HD21 ' A' ' 61' ' ' LEU . 4.0 mt -121.09 149.98 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.217 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.551 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.85 116.96 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.329 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -91.36 156.46 17.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 111.049 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -33.66 74.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.23 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.6 156.47 18.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -59.19 118.91 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.447 0.733 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.425 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 7.4 t80 -97.41 142.4 29.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.55 111.11 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.2 t -105.49 69.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 108.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.406 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.9 t -98.84 33.2 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -170.59 113.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.232 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.44 ' HB3' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -79.58 50.11 1.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.6 mmm-85 -116.29 -24.01 8.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.0 t80 -76.41 -38.35 55.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -88.08 12.92 12.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 75.2 m-20 -66.36 106.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.487 HD22 ' CB ' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -108.4 136.54 47.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.542 HG13 ' CD2' ' A' ' 86' ' ' HIS . 4.0 m -124.22 164.66 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.505 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 8.2 t -85.25 119.61 72.54 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.87 14.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -20.41 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.474 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.7 tpp180 -133.37 143.78 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.1 t -76.73 55.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.5 141.14 51.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.542 ' CD2' HG13 ' A' ' 79' ' ' VAL . 25.5 m170 -107.86 145.9 33.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.398 1.061 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 80' ' ' SER . 12.1 m-85 -126.52 132.88 51.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -114.69 101.91 54.59 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.591 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.567 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.03 166.18 29.71 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -87.26 123.36 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 73' ' ' GLN . 9.6 mt -89.09 128.37 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -135.35 132.95 38.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.194 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.4 114.25 4.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.18 113.64 22.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -144.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.544 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.3 OUTLIER -91.36 143.1 26.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.06 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.9 p 155.93 138.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.8 p -80.15 -7.36 58.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -45.07 -25.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.513 HG23 ' CZ ' ' A' ' 116' ' ' PHE . 15.7 m -67.67 -44.06 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -58.4 -44.87 89.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.5 m -57.86 -49.3 77.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.418 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 70.3 t80 -63.8 -34.76 78.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.525 HD11 ' CE2' ' A' ' 116' ' ' PHE . 82.5 mt -68.94 -38.16 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -25.09 66.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -74.83 71.71 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -82.81 177.41 8.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 138.23 90.31 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.8 OUTLIER 63.49 37.62 10.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -116.4 161.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.487 ' CD2' ' HG ' ' A' ' 29' ' ' LEU . 5.1 tt -105.03 121.9 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -113.14 134.66 54.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 110.335 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.548 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 9.6 t90 -140.88 144.62 35.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 107.99 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.548 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 73.66 -177.2 44.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.1 m -123.76 119.07 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CE2' ' HG2' ' A' ' 63' ' ' GLN . 11.9 t80 -79.82 147.18 31.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -150.23 137.71 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.0 mt -91.91 128.11 43.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.34 104.09 14.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 114.71 -158.93 14.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.43 1.081 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.476 0.751 . . . . 0.0 110.278 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.34 -175.17 49.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.91 157.19 44.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.0 t80 -78.91 102.51 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.51 113.59 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.413 HD12 ' CZ ' ' A' ' 7' ' ' PHE . 44.3 mt -106.8 133.63 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.61 111.96 10.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.42 163.35 27.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.75 -33.6 30.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -114.42 146.06 41.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.2 m-85 -132.24 144.13 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CE2' HD21 ' A' ' 61' ' ' LEU . 14.0 m-85 -120.08 121.76 39.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -104.9 133.83 49.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' CD2' ' A' ' 57' ' ' HIS . 60.9 m -124.02 117.98 25.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.581 ' CE1' HD12 ' A' ' 60' ' ' ILE . 13.8 m-85 -106.65 102.42 41.59 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.05 137.05 21.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' PRO . 11.3 tttt 39.15 44.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.502 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.3 t -102.3 121.07 41.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.095 . . . . 0.0 108.254 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.72 13.89 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 tp -71.04 135.67 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.422 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.2 p -86.78 164.97 16.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.87 -27.93 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 6.6 mt-10 -66.02 -48.57 70.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.422 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 8.2 m120 -67.07 -44.31 80.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.453 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.47 -34.12 76.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.508 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -68.91 -44.31 73.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.407 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 74.8 m -67.86 -45.27 75.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.092 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.505 ' CB ' HD23 ' A' ' 78' ' ' LEU . 10.6 mt-30 -66.1 -47.53 73.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.2 mm -64.86 -45.76 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 43.0 m -62.49 -38.71 90.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.7 m120 -81.28 -9.34 59.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.555 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.49 118.72 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.632 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.6 tm0? -82.22 162.78 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.064 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.488 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -146.8 158.9 45.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.401 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -75.02 -4.15 14.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.757 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -116.43 -107.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.407 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.585 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.3 t30 -169.88 141.08 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -90.79 120.45 31.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tp -92.5 -57.68 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.379 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 58.1 t80 -138.48 158.62 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.2 mt -137.66 121.5 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HG2' ' CE2' ' A' ' 103' ' ' TYR . 10.7 tptt -114.17 124.67 52.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.49 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 30.8 mt -129.79 116.16 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 55.8 m -130.2 137.2 49.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.249 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.4 143.79 27.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' HIS . 9.0 tp10 -145.63 133.52 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 1.0 OUTLIER -98.21 135.23 40.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.458 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 20.6 m170 -89.39 156.8 18.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.18 -6.55 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -83.28 -4.63 58.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.92 0.18 81.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -96.3 126.23 44.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 110.286 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.66 8.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 3.5 t-80 -118.47 156.39 29.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 5.0 tt -135.39 143.0 45.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.421 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -116.93 144.88 44.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.598 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.581 HD12 ' CE1' ' A' ' 18' ' ' TYR . 42.3 mt -142.42 137.62 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 15' ' ' PHE . 1.2 tm? -136.18 110.2 8.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.445 ' N ' HD23 ' A' ' 61' ' ' LEU . 3.0 mt -115.36 151.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.509 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.7 116.34 13.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.07 . . . . 0.0 110.342 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -91.43 156.46 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.32 -33.94 74.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.5 155.64 18.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -59.24 112.84 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.415 ' CE1' ' CD ' ' A' ' 38' ' ' PRO . 6.5 t80 -91.03 142.35 27.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.97 106.35 17.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 12.6 t -102.74 70.39 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.147 . . . . 0.0 108.253 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.3 t -94.95 30.62 2.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 110.447 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -161.94 117.88 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.521 ' HG3' ' CE2' ' A' ' 7' ' ' PHE . 9.0 mt-30 -86.74 43.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.228 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -117.18 -20.0 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.632 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.8 -38.74 53.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -87.79 12.2 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -66.91 108.22 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.505 HD23 ' CB ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -109.24 137.1 47.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.548 ' CG1' ' CG ' ' A' ' 86' ' ' HIS . 4.4 m -126.11 164.61 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 9.7 t -85.16 118.88 71.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -2.26 12.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.2 p -113.67 -21.01 10.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.356 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 4.3 ttm180 -134.08 144.92 48.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.253 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.35 54.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.945 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.71 125.27 39.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.548 ' CG ' ' CG1' ' A' ' 79' ' ' VAL . 19.3 m170 -95.33 147.73 23.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.661 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 21.5 m-85 -126.23 131.22 51.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.71 101.24 42.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.48 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.94 158.11 42.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.75 121.79 32.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.431 ' CD1' ' HG2' ' A' ' 73' ' ' GLN . 7.1 mt -88.77 128.61 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.231 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -135.45 133.16 38.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.342 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.4 113.89 4.5 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 95' ' ' LYS . . . -86.31 113.66 22.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -60.58 -150.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 109.247 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 97' ' ' SER . 23.7 p -89.24 142.87 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.3 t 155.41 142.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.2 p -79.94 -7.03 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.13 -25.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.434 ' N ' ' C ' ' A' ' 98' ' ' SER . 14.1 m -67.54 -44.81 86.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 98' ' ' SER . 10.1 tptt -61.28 -40.94 95.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 t -57.81 -45.47 86.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.978 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.47 ' CE2' ' HG2' ' A' ' 45' ' ' LYS . 22.1 t80 -69.68 -33.4 72.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.566 HD11 ' CD2' ' A' ' 116' ' ' PHE . 66.2 mt -67.49 -36.21 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.92 -25.91 66.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -74.44 71.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.99 -172.94 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 114.0 101.14 2.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 2.2 m-20 63.42 43.64 5.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -131.29 166.98 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.48 ' C ' ' CD2' ' A' ' 111' ' ' LEU . 1.1 tt -131.45 113.94 14.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -113.07 145.08 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.622 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 20.4 t90 -131.14 154.69 48.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.614 1.196 . . . . 0.0 108.039 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.622 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 70.7 -174.69 38.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.417 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.0 m -124.31 119.56 29.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CD2' HD11 ' A' ' 104' ' ' ILE . 6.5 t80 -79.8 150.76 30.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.2 OUTLIER -146.67 129.58 16.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.1 mp -89.58 125.27 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.23 116.0 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -138.96 65.49 0.54 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 110.267 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.74 147.2 4.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.03 157.33 44.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.539 ' CE1' HD13 ' A' ' 9' ' ' ILE . 30.7 t80 -76.16 102.57 5.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.8 113.91 13.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.539 HD13 ' CE1' ' A' ' 7' ' ' PHE . 57.9 mt -111.87 135.58 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -134.52 109.94 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.165 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.46 163.63 27.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -21.35 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -117.17 134.62 54.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.578 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 4.5 m-85 -131.04 137.16 49.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 23.8 m-85 -120.29 124.62 46.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.77 129.37 53.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.8 m -119.46 118.23 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 4.4 m-85 -108.95 104.24 54.32 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.05 136.52 20.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.442 1.759 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 39.79 48.14 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -105.36 122.12 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.88 14.6 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 tp -70.9 134.69 47.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.428 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.4 p -86.83 162.45 17.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.396 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.16 -27.57 64.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -66.27 -47.79 72.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.299 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.428 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.1 m120 -68.05 -43.74 77.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.72 -32.26 72.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -69.15 -44.15 72.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.407 ' N ' HD13 ' A' ' 29' ' ' LEU . 61.5 m -69.66 -43.49 72.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.506 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 14.8 mt-30 -66.18 -48.02 72.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.2 mm -65.29 -45.74 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 52.5 m -64.19 -33.38 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.38 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -85.51 -10.34 56.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.572 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -73.54 118.93 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.371 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.618 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.1 mt-30 -79.29 162.17 25.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.482 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -147.91 158.61 42.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 -6.2 17.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.599 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -114.13 -107.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.378 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.599 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -168.68 139.89 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 4.5 mtpm? -91.08 126.68 36.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.468 HD22 ' CG ' ' A' ' 117' ' ' GLN . 1.1 mp -103.54 -86.81 0.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.546 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 60.6 t80 -103.27 156.26 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.3 mt -138.02 120.23 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -113.58 109.22 18.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 ' O ' ' HB ' ' A' ' 110' ' ' VAL . 62.9 mt -115.96 114.41 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.1 m -131.3 138.47 49.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 108.295 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -100.57 142.85 31.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -136.88 134.56 36.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -98.19 135.25 40.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.419 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 23.1 m170 -88.85 155.62 19.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.647 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -77.01 -6.13 51.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.228 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.38 -4.61 57.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.68 -1.47 78.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -96.41 132.56 26.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.308 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.37 11.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 6.1 t-80 -112.68 152.86 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.431 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -130.44 141.12 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.431 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -126.14 141.59 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.616 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.494 HD13 ' CZ ' ' A' ' 18' ' ' TYR . 50.3 mt -142.04 139.63 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 tm? -138.66 111.05 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.434 ' N ' HD23 ' A' ' 61' ' ' LEU . 1.5 mt -114.97 149.74 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.545 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.88 116.19 13.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.243 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -91.48 156.89 17.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -33.37 73.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.51 157.47 19.62 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.542 1.151 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -58.78 119.6 7.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 0.729 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 5.0 t80 -97.93 142.1 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.418 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.46 106.2 18.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.195 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.536 ' CB ' ' CZ ' ' A' ' 14' ' ' TYR . 49.2 t -98.88 67.81 1.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.5 t -96.89 31.79 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -161.39 117.37 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -87.77 37.35 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.379 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -115.2 -20.61 10.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.618 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.4 t80 -76.15 -37.71 57.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.547 ' CD2' HG12 ' A' ' 91' ' ' ILE . 32.1 m-85 -88.35 12.38 14.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -66.78 110.0 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.506 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.4 mt -110.04 136.91 48.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.47 HG12 ' CG ' ' A' ' 86' ' ' HIS . 4.0 m -123.67 164.68 21.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.47 ' O ' ' O ' ' A' ' 83' ' ' ARG . 22.7 t -85.17 119.01 72.0 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -8.49 20.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -18.38 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 80' ' ' SER . 12.7 ttt180 -132.97 142.99 49.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.05 55.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.73 142.5 50.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.47 ' CG ' HG12 ' A' ' 79' ' ' VAL . 26.8 m170 -108.59 147.23 32.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.685 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 20.4 m-85 -126.09 133.84 51.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.35 100.84 43.17 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.553 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.57 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.06 160.77 39.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -101.02 120.72 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.547 HG12 ' CD2' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -87.41 128.78 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -135.41 133.34 38.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.04 122.76 7.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.04 113.86 15.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.26 -9.19 38.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.429 ' CB ' ' HB2' ' A' ' 99' ' ' ASP . 3.1 m -105.88 167.72 9.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.453 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 35.0 p -116.23 -44.98 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.635 1.209 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -81.06 -29.76 34.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.951 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.429 ' HB2' ' CB ' ' A' ' 96' ' ' SER . 38.6 t70 -45.39 -24.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 97' ' ' SER . 23.5 m -67.59 -42.97 87.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -58.88 -38.54 79.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -57.72 -46.63 84.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -71.45 -33.71 69.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.07 -32.95 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.39 -24.59 64.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -74.88 69.21 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -83.0 -172.96 4.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.17 81.92 0.65 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.3 67.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.772 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 1.2 m -140.89 163.58 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 112' ' ' GLU . 5.6 tt -104.86 147.6 27.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.419 ' N ' HD22 ' A' ' 111' ' ' LEU . 10.0 mt-10 -131.74 124.15 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.664 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 14.4 t90 -134.08 153.54 51.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 108.001 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.664 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.73 176.64 3.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.44 1.088 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.44 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -124.36 122.69 38.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.386 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 118' ' ' ILE . 5.3 t80 -79.86 149.07 31.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.468 ' CG ' HD22 ' A' ' 42' ' ' LEU . 39.9 mm-40 -95.61 74.12 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.561 HD13 ' CE1' ' A' ' 116' ' ' PHE . 25.1 mm -79.36 134.64 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.02 119.42 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -162.97 -79.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 110.257 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.27 168.16 29.5 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -131.97 137.18 47.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 0.807 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 12.1 t80 -78.27 102.72 7.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.31 110.3 10.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.954 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.498 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 60.3 mt -103.98 134.56 44.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.96 111.78 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.21 163.65 28.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 64' ' ' PHE . 12.0 ttmt -83.67 -31.93 25.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -114.45 146.88 40.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 4.1 m-85 -133.14 139.8 47.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.531 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 17.6 m-85 -120.0 121.7 39.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -104.9 133.7 49.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 m -121.84 118.66 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.444 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 20.0 m-85 -107.77 102.96 47.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' C ' ' CG ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.05 129.9 12.73 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.472 1.775 . . . . 0.0 110.943 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' CG ' ' C ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 43.28 56.41 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.6 t -114.29 123.83 50.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -86.89 14.21 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.99 133.86 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.357 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 6.2 p -86.95 164.22 16.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.46 -28.31 63.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -48.89 73.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.426 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 6.1 m120 -67.25 -44.21 79.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.4 -33.4 75.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.4 tm? -69.34 -43.82 72.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -45.17 80.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.413 ' NE2' HD23 ' A' ' 78' ' ' LEU . 36.6 mt-30 -67.59 -48.59 66.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 7.3 mm -62.42 -45.8 97.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 69.0 m -63.23 -38.53 91.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.43 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -81.1 -9.16 59.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.61 118.82 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.4 pt20 -81.87 162.58 22.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.485 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -147.25 156.48 46.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.0 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.582 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -114.12 -107.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.582 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.5 OUTLIER -168.59 131.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.486 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 4.0 mtpp -80.41 120.87 25.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' CD1' ' OD1' ' A' ' 40' ' ' ASN . 1.0 OUTLIER -96.09 -85.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 48.1 t80 -102.64 154.67 18.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 99.7 mt -144.21 115.46 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.472 ' HE2' ' CG2' ' A' ' 110' ' ' VAL . 4.2 tttm -127.55 129.2 46.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 6.9 mt -125.88 116.59 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 39.3 t -122.58 136.37 54.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -100.23 143.18 30.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -138.23 133.45 33.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -98.49 135.23 40.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.425 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 31.7 m170 -88.04 154.33 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -73.97 -6.69 48.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -86.38 -0.85 56.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.42 5.82 84.49 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.442 1.089 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 16.2 pt-20 -96.37 125.92 45.77 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.506 0.768 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.67 8.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.459 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 6.3 t-80 -111.01 154.35 24.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.655 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.459 ' H ' ' CD2' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -131.84 135.53 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.436 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -116.88 142.94 46.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.559 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.459 HG12 ' CG2' ' A' ' 46' ' ' ILE . 7.9 mt -140.44 137.39 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.531 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.24 110.15 7.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.401 HG21 ' O ' ' A' ' 43' ' ' PHE . 6.3 mt -117.42 154.12 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -129.7 138.99 51.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.486 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 85.4 m-85 -116.74 148.02 41.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -33.52 74.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.19 157.15 20.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.33 109.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 0.728 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.542 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 5.1 t80 -87.69 136.58 32.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.69 111.29 23.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 31.2 t -107.73 70.4 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 108.329 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 71' ' ' THR . 0.6 OUTLIER -92.48 29.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -161.94 120.12 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.477 ' CB ' HD13 ' A' ' 91' ' ' ILE . 12.6 mt-30 -86.99 44.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.415 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -117.1 -18.24 10.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.364 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.5 t80 -77.28 -40.23 45.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -87.91 13.05 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.637 1.211 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.415 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.1 m-20 -66.64 110.43 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 ' CD1' ' OH ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -109.28 136.9 47.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.511 HG11 ' CE1' ' A' ' 86' ' ' HIS . 2.1 m -125.01 164.83 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 83' ' ' ARG . 42.7 t -85.08 117.68 69.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.95 17.44 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.24 -20.73 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 6.8 ttm180 -133.55 144.19 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -76.27 57.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.37 137.89 51.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.511 ' CE1' HG11 ' A' ' 79' ' ' VAL . 18.2 m170 -106.14 146.23 30.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 17.0 m-85 -126.19 130.35 50.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.9 101.34 43.91 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.98 159.48 41.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.803 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -87.17 122.58 31.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.477 HD13 ' CB ' ' A' ' 73' ' ' GLN . 62.0 mt -86.86 126.44 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -135.53 132.8 37.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.213 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.58 113.47 4.72 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.38 113.49 22.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -141.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 97' ' ' SER . 26.0 p -90.16 142.49 27.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.2 t 155.98 139.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.4 m -80.42 -6.26 57.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.036 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -44.88 -25.94 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.457 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 21.0 m -67.69 -42.25 86.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.233 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -63.64 -44.1 94.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.3 t -57.88 -47.33 83.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -68.03 -35.35 78.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.62 -35.56 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -72.11 -23.3 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -74.89 67.39 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.01 169.91 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.233 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 147.37 96.68 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.7 OUTLIER 62.23 34.59 15.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.736 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.472 ' CG2' ' HE2' ' A' ' 45' ' ' LYS . 1.4 m -122.35 166.46 17.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.407 HD21 ' N ' ' A' ' 112' ' ' GLU . 5.7 tt -105.14 146.7 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.407 ' N ' HD21 ' A' ' 111' ' ' LEU . 5.9 mt-10 -128.13 131.13 48.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.676 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 11.9 t90 -141.4 153.81 45.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.676 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.12 175.69 2.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.469 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -124.01 125.68 44.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 0.719 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.457 ' CZ ' HG22 ' A' ' 100' ' ' VAL . 14.0 t80 -79.78 150.9 30.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.3 OUTLIER -149.1 122.8 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.3 mp -81.04 140.56 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -80.56 109.83 15.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.362 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 157.0 -111.57 0.49 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.419 1.074 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.76 . . . . 0.0 110.255 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 106.08 69.64 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -130.55 150.76 51.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.8 t80 -74.13 102.71 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.23 110.49 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.1 mt -102.54 134.47 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.07 111.66 9.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . . . -162.41 163.47 27.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.61 -32.57 25.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -114.09 145.74 41.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -133.81 141.3 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 111.031 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 30.9 m-85 -120.14 121.68 39.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -104.17 134.19 47.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -121.65 118.45 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.511 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 17.6 m-85 -108.12 101.72 42.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.09 137.57 21.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.586 1.835 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.9 OUTLIER 39.2 47.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.498 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.3 t -105.74 120.62 42.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 108.289 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -86.81 14.29 7.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.597 1.186 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 tp -70.27 136.32 49.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.423 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 6.3 p -86.57 164.54 16.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.371 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -71.11 -28.64 64.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.17 -49.13 70.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.423 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 7.7 m120 -65.7 -43.99 87.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.75 -32.45 72.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 33' ' ' THR . 0.6 OUTLIER -69.24 -45.03 70.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m -68.66 -43.11 76.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 28.6 mt-30 -66.55 -48.12 70.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 28' ' ' ALA . 10.2 mm -65.12 -46.14 92.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 54.9 m -62.65 -35.2 78.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -83.59 -9.69 58.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.33 118.78 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.621 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.8 pt20 -80.3 161.98 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.456 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.42 155.24 45.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 17.9 Cg_endo -75.06 -6.36 17.93 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.515 1.798 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.597 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -111.25 -108.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.597 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.6 OUTLIER -169.91 134.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 9.4 mttp -84.83 116.7 23.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.235 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.421 ' HG ' ' NE2' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -88.36 -63.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.526 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 62.1 t80 -137.36 160.88 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.4 mt -136.27 132.16 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -123.12 106.17 10.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 41.0 mt -112.32 116.19 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.6 t -127.14 140.07 52.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -96.59 142.51 28.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.222 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 57' ' ' HIS . 21.0 tt0 -133.52 140.47 47.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -126.69 135.55 51.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.439 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 22.7 m170 -95.11 155.29 16.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.118 . . . . 0.0 109.591 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -77.11 -6.59 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.23 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.27 -3.28 58.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.35 4.98 73.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 19.0 pt-20 -96.29 120.52 62.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 110.291 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.88 37.32 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.427 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 7.6 t-80 -141.15 152.64 44.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.567 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' H ' ' CD2' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -133.13 136.94 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.427 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -117.67 141.25 48.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.658 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 mt -141.88 134.73 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.445 1.091 . . . . 0.0 109.381 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -138.46 110.27 7.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -116.11 152.28 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.577 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.95 115.41 12.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -91.35 155.51 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.33 -33.81 75.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.02 156.03 18.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -59.35 111.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 0.803 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.512 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 3.6 t80 -89.74 140.13 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.67 116.19 30.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.4 t -113.14 69.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 71' ' ' THR . 0.2 OUTLIER -91.45 22.07 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 110.392 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -154.27 120.3 5.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 26.8 mt-30 -86.55 44.02 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -118.39 -16.68 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.621 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.7 t80 -77.45 -40.32 43.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -88.15 12.34 13.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.412 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 56.4 m-20 -69.95 106.49 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -102.43 136.36 42.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.543 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.4 m -123.61 163.63 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.9 t -86.0 118.34 70.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -113.2 -20.66 11.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 21.3 tpp85 -133.52 144.51 49.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 0.0 110.324 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.44 56.62 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.96 136.1 49.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.543 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 25.4 m170 -108.68 147.1 32.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -126.34 133.86 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.88 101.28 49.25 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.511 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.93 160.28 40.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.38 122.9 31.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 31.4 mt -87.46 128.39 40.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -135.51 132.94 37.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.92 114.09 4.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.3 113.61 22.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -143.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.544 ' O ' ' CB ' ' A' ' 97' ' ' SER . 2.0 m -90.42 142.78 27.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.5 p 156.1 136.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.8 m -80.4 -7.08 58.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -44.93 -26.01 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.571 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 15.6 m -67.62 -44.97 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 98' ' ' SER . 42.8 tptt -64.16 -44.63 91.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.99 -48.28 80.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.947 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -66.92 -34.99 78.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.653 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 24.6 mt -64.61 -34.86 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -33.9 74.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -75.06 75.05 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -83.06 178.27 8.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.52 97.18 0.2 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.634 1.208 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.38 34.28 18.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.81 164.58 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 112' ' ' GLU . 5.3 tt -104.91 145.52 30.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.424 ' N ' HD22 ' A' ' 111' ' ' LEU . 33.4 mt-10 -130.03 122.36 28.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.556 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.4 t90 -130.48 150.85 51.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.556 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.07 -177.81 18.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.425 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.1 m -123.16 116.78 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.653 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 3.9 t80 -79.59 148.11 31.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.2 OUTLIER -145.03 139.08 27.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.24 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.1 mm -83.5 134.72 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -84.58 -54.52 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 49.12 -173.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.163 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 110.324 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.35 67.01 0.89 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 -131.15 131.89 44.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.579 ' CE1' HD12 ' A' ' 9' ' ' ILE . 27.4 t80 -77.57 101.83 6.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.428 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.1 p -133.6 116.15 15.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.579 HD12 ' CE1' ' A' ' 7' ' ' PHE . 54.2 mt -109.13 133.79 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.23 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -134.98 111.19 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.43 163.65 27.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 109.372 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -85.69 -25.3 26.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' HG3' ' A' ' 12' ' ' LYS . 17.0 m-80 -120.5 139.74 52.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.521 ' CE1' HG22 ' A' ' 9' ' ' ILE . 11.6 m-85 -133.05 143.5 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.576 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 23.6 m-85 -119.92 122.06 40.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.416 HD12 ' CE2' ' A' ' 76' ' ' PHE . 1.1 mm? -104.55 130.43 52.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.01 130.39 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 24.9 m-85 -117.22 103.02 52.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 133.76 17.0 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 56' ' ' PRO . 38.5 tttt 39.48 52.98 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.396 1.06 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -112.4 121.88 46.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 108.327 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.99 15.16 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 tp -69.37 135.87 50.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.439 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 6.7 p -86.79 162.16 17.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' CB ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.59 -28.69 65.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.72 -48.08 75.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 1.9 m120 -68.19 -44.66 75.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.24 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 111' ' ' LEU . 1.0 OUTLIER -69.22 -38.19 78.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -67.4 -45.81 75.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 2.5 mt-30 -70.42 -45.97 64.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.454 ' CG2' HD11 ' A' ' 62' ' ' ILE . 14.6 mm -61.62 -44.69 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.434 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 52.3 m -65.31 -39.12 92.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.46 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -81.1 -8.02 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.539 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -73.86 118.08 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.607 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 11.3 pt20 -77.93 162.55 26.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.444 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -147.36 160.36 39.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.97 -24.76 12.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.47 -101.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.581 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -171.45 143.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.408 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 3.6 mtpm? -91.11 126.98 36.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 HD22 ' CG ' ' A' ' 117' ' ' GLN . 1.4 tp -103.87 -85.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -103.42 158.69 16.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -141.87 130.2 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -126.93 111.77 14.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.471 HG21 ' CB ' ' A' ' 25' ' ' LYS . 39.1 mt -121.04 115.01 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 t -134.27 138.55 45.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.238 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -97.05 143.42 27.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 57' ' ' HIS . 11.4 tp10 -140.23 133.9 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 50' ' ' LEU . 1.5 mm? -97.22 134.93 39.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -88.63 156.33 19.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -75.25 -6.8 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -84.64 0.03 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 2.09 89.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.46 125.06 48.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.98 123.86 8.21 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' A' ' 49' ' ' GLU . 4.8 t-80 -118.48 156.92 28.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tt -132.28 140.25 48.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.438 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -112.81 141.78 46.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.538 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.7 mt -142.19 135.59 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.576 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 tm? -138.25 110.4 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.454 HD11 ' CG2' ' A' ' 32' ' ' ILE . 3.7 mt -116.96 149.22 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.431 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -135.71 118.64 16.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -91.49 158.26 16.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.25 -34.02 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.54 162.9 22.15 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -58.78 111.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.494 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 1.9 t80 -88.12 141.25 28.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.35 111.53 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.41 ' HB2' ' CE2' ' A' ' 68' ' ' TYR . 6.1 t -112.91 70.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.248 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.428 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.7 t -94.7 31.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -157.69 125.39 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.482 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 19.9 mt-30 -91.48 36.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -116.67 -16.34 10.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 9.9 t80 -76.55 -39.41 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' A' ' 16' ' ' LEU . 20.9 m-85 -87.83 12.71 12.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.18 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -66.75 106.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -106.71 136.96 45.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.491 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.7 m -122.47 165.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 83' ' ' ARG . 40.1 t -84.79 118.87 71.95 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 -4.49 15.46 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.0 p -113.2 -20.98 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 80' ' ' SER . 5.9 ttm180 -133.77 145.65 50.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.34 54.93 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 109.966 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.24 132.42 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.491 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 21.9 m170 -102.17 146.04 28.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.576 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -126.29 137.09 53.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 100.67 53.81 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.609 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.532 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.07 160.75 39.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.33 125.27 34.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 72.3 mt -88.4 127.52 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -135.42 132.94 38.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.0 113.84 4.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.35 113.37 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -69.68 -140.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 97' ' ' SER . 88.4 p -90.1 142.36 27.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.618 1.199 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 155.23 138.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 101' ' ' LYS . 3.0 m -80.28 -6.6 58.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -44.74 -26.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.601 1.188 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' A' ' 98' ' ' SER . 15.4 m -68.51 -44.39 83.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -58.82 -42.39 89.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -49.45 76.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.18 -35.21 80.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.552 HD13 ' CE2' ' A' ' 116' ' ' PHE . 74.9 mt -68.04 -35.66 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -23.68 61.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -74.91 67.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -83.02 167.51 17.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 144.16 74.57 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 2.1 m-20 77.49 62.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.777 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -140.82 163.39 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.478 ' CD2' ' HG ' ' A' ' 29' ' ' LEU . 3.7 tt -105.02 114.76 29.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -108.65 135.64 49.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 5.5 t90 -138.49 146.18 41.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.167 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.636 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.54 -176.84 18.71 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.457 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.0 m -123.98 128.7 49.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.39 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.552 ' CE2' HD13 ' A' ' 104' ' ' ILE . 5.0 t80 -79.9 149.56 30.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 115' ' ' THR . 45.4 mm-40 -105.13 97.12 7.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.0 mp -84.51 112.26 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -85.62 -55.29 4.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.31 -164.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 110.244 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.34 128.21 4.08 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.593 1.183 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.75 156.27 46.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 110.244 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.556 ' CE1' HD12 ' A' ' 9' ' ' ILE . 11.1 t80 -79.21 102.86 8.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.21 110.93 10.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.948 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 7' ' ' PHE . 37.6 mt -106.52 134.16 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.45 110.4 9.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.37 163.82 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -86.69 -24.19 25.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -114.72 137.03 52.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.062 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.7 m-85 -133.63 136.1 44.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.574 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 51.5 m-85 -120.3 127.7 52.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.538 HD13 ' CG ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -105.36 133.08 50.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.414 ' CG2' ' NE2' ' A' ' 57' ' ' HIS . 91.5 m -120.75 117.93 28.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.366 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.466 ' HB3' ' CB ' ' A' ' 21' ' ' CYS . 13.4 m-85 -109.78 102.97 52.14 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.96 136.44 20.49 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.54 1.811 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.6 tttp 39.73 48.62 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.195 . . . . 0.0 109.376 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.2 t -106.4 118.61 37.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 108.312 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.11 15.29 6.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 tp -65.85 137.2 57.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.234 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.44 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 9.8 p -83.83 163.94 19.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' CG ' ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.82 -30.13 66.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -66.52 -42.46 87.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 0.0 110.321 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.4 m120 -71.54 -42.89 67.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.496 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.78 -40.75 79.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.5 tm? -69.2 -41.69 76.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 17.9 t -67.43 -45.88 74.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 34.6 mt-30 -66.76 -48.27 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 mm -62.99 -45.86 97.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 52.9 m -63.77 -38.04 89.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.404 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.4 m120 -81.12 -10.02 59.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.565 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.62 118.95 18.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.636 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -81.46 163.02 23.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.481 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -146.67 157.08 48.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.481 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.03 -2.7 12.88 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.454 1.765 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.592 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -116.64 -107.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.592 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.6 t30 -169.52 139.77 2.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.469 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 9.3 mttp -90.92 152.34 20.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 65' ' ' GLU . 6.0 mp -130.77 -85.46 0.52 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 41.6 t80 -102.38 150.73 23.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.58 HD11 ' CE3' ' A' ' 113' ' ' TRP . 81.1 mt -140.06 116.75 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -116.95 120.74 39.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.487 ' CG2' ' CG ' ' A' ' 25' ' ' LYS . 54.2 mt -119.61 116.26 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.34 139.1 53.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 108.253 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -96.88 144.09 27.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -134.31 134.24 41.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -96.61 135.19 38.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -91.65 155.75 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 109.663 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -73.47 -6.81 48.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -88.35 -0.72 57.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.96 6.92 86.23 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -96.11 129.94 32.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.36 0.683 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 123.47 7.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.444 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 5.6 t-80 -111.76 150.44 30.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -126.46 141.59 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.451 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -122.32 146.26 47.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.531 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.3 mt -140.73 140.39 33.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.57 110.76 7.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.405 ' N ' HD23 ' A' ' 61' ' ' LEU . 2.2 mt -120.37 153.23 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.573 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.71 125.87 26.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.245 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -101.9 157.76 16.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.528 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 1.1 tm-20 -60.67 -34.06 73.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.69 157.86 21.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -59.25 117.1 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 0.816 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.434 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 4.4 t80 -92.27 142.54 27.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.47 106.54 18.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 7.3 t -101.68 68.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.332 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.4 t -94.87 30.52 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -163.49 116.12 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.478 ' HG3' ' CE2' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -84.67 44.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 2.4 mmm180 -117.85 -19.83 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.636 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.6 t80 -77.03 -39.48 49.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CG ' HD13 ' A' ' 16' ' ' LEU . 17.2 m-85 -88.26 12.47 13.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.41 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.1 m-20 -67.76 106.14 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -103.58 136.09 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.565 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.3 m -125.59 163.62 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 83' ' ' ARG . 22.8 t -86.12 118.36 70.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.446 1.761 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.84 -20.7 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 16.8 ttt180 -133.6 144.26 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.42 57.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.96 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.74 135.74 48.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.565 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 18.9 m170 -108.75 147.0 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -126.42 133.01 51.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -107.97 102.02 43.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.445 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.07 157.42 42.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.386 1.729 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.92 123.43 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.455 HD12 ' CG ' ' A' ' 73' ' ' GLN . 11.8 mt -86.87 128.27 39.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -135.19 132.98 38.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.56 123.12 7.83 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.81 113.4 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 0.787 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -4.69 35.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.43 ' CB ' ' HB3' ' A' ' 99' ' ' ASP . 3.6 m -100.61 175.51 5.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.923 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.98 -58.94 1.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.1 m -80.17 -25.86 39.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.43 ' HB3' ' CB ' ' A' ' 96' ' ' SER . 33.8 t70 -45.41 -24.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.435 ' N ' ' C ' ' A' ' 98' ' ' SER . 18.0 m -67.84 -45.17 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' SER . 18.6 tptm -56.7 -40.26 75.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -45.44 85.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -71.33 -33.82 69.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 19.3 mt -59.98 -32.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.53 -29.87 70.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -74.16 71.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.06 -174.63 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.28 83.94 0.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.65 76.11 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 0.768 . . . . 0.0 109.249 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -140.9 163.4 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.44 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 5.9 tt -104.77 128.45 52.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -106.77 125.04 50.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.58 ' CE3' HD11 ' A' ' 44' ' ' ILE . 11.0 t90 -141.23 138.14 33.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.69 176.37 29.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -125.39 127.44 46.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 7.3 t80 -79.72 150.9 30.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.415 ' N ' ' CD1' ' A' ' 116' ' ' PHE . 53.2 mm-40 -94.03 75.12 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.5 mm -79.46 118.11 26.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.71 170.06 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -179.66 159.34 23.8 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.55 1.156 . . . . 0.0 111.048 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.0 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.85 -66.39 0.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.569 1.168 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -123.73 157.98 32.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 0.803 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.552 ' CE1' HD13 ' A' ' 9' ' ' ILE . 16.1 t80 -74.01 102.59 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.62 116.42 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.552 HD13 ' CE1' ' A' ' 7' ' ' PHE . 27.2 mt -107.18 135.14 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.84 110.97 9.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.53 27.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 64' ' ' PHE . 19.6 ttpt -85.78 -31.64 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.38 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -114.63 141.85 47.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.4 m-85 -132.96 142.33 48.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.573 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 20.4 m-85 -120.08 121.9 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.574 ' HG ' ' CD1' ' A' ' 76' ' ' PHE . 1.4 mm? -104.77 136.32 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.8 m -122.55 120.04 32.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 21.1 m-85 -106.85 102.2 41.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.97 132.61 15.67 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.452 1.764 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 13.2 pttt 37.35 52.16 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.486 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.7 t -106.92 125.37 50.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.81 12.93 9.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -71.16 135.51 47.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.471 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 6.8 p -86.92 161.2 18.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.143 . . . . 0.0 110.454 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.17 -28.75 65.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -47.74 72.74 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.471 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.6 m120 -66.32 -43.92 84.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -68.85 -34.03 74.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 1.095 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.26 -43.02 74.77 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.418 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -69.03 -44.93 71.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.11 . . . . 0.0 110.093 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.481 ' CB ' HD22 ' A' ' 78' ' ' LEU . 57.4 mt-30 -66.05 -48.83 69.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 3.6 mm -63.46 -45.68 97.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 52.3 m -65.05 -35.35 80.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.3 m120 -86.78 -4.53 59.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tp -74.91 141.06 44.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.7 OUTLIER -90.79 161.41 15.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.471 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.5 OUTLIER -149.58 150.63 31.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -3.76 14.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.529 1.805 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.587 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -118.05 -107.76 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.489 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.587 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t-20 -168.2 134.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.396 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.454 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 7.3 mtpp -84.58 118.44 24.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.419 HD22 ' CG ' ' A' ' 117' ' ' GLN . 1.2 tp -90.63 -59.96 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 112' ' ' GLU . 66.1 t80 -137.44 157.69 46.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.03 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mt -137.96 128.37 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -123.01 123.95 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 18.3 mt -128.74 116.95 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.05 137.7 49.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' CD ' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -96.82 143.77 27.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 57' ' ' HIS . 7.4 tp10 -143.07 133.88 25.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -97.7 135.13 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -87.75 156.1 19.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.74 -6.83 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.79 0.22 53.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.86 4.08 88.92 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -96.35 130.15 31.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 123.58 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.064 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.455 ' O ' ' O ' ' A' ' 49' ' ' GLU . 5.7 t-80 -117.18 154.42 31.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.604 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD11 ' CD ' ' A' ' 48' ' ' ARG . 4.1 tt -136.57 142.11 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -117.53 146.01 43.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.645 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.0 mt -142.06 137.19 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.573 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -138.49 110.19 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.403 ' N ' HD22 ' A' ' 61' ' ' LEU . 5.3 mt -117.63 150.37 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.577 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.07 117.39 14.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.384 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.463 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 51.8 m-85 -91.14 155.79 18.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -33.62 73.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.21 162.84 18.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -59.21 112.44 1.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 0.792 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.494 ' CE1' ' O ' ' A' ' 69' ' ' ASN . 1.2 t80 -90.07 135.54 33.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.494 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -96.88 120.05 36.49 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.2 t -119.36 69.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 108.361 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.5 t -93.93 30.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -159.22 127.93 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.468 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 7.3 mt-30 -88.59 31.94 0.81 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 4.9 mmt85 -114.32 -9.6 12.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.0 t80 -77.42 -39.4 47.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.574 ' CD1' ' HG ' ' A' ' 16' ' ' LEU . 36.0 m-85 -91.7 14.5 15.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.454 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 60.3 m-20 -65.66 106.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.481 HD22 ' CB ' ' A' ' 31' ' ' GLN . 1.1 mt -111.13 137.73 48.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.501 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 3.7 m -122.57 164.2 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 14.8 t -85.55 118.42 70.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.26 12.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.458 1.768 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.8 p -114.45 -20.61 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' SER . 1.4 ttt180 -133.53 145.38 50.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.69 54.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.72 133.82 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.501 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 19.2 m170 -101.37 146.67 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.5 m-85 -126.29 137.75 53.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -121.83 100.03 43.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.57 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.06 166.19 29.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.969 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.83 127.45 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 14.2 mt -88.29 130.81 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.206 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -135.28 132.69 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.57 113.99 4.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.16 . . . . 0.0 111.044 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.42 113.32 22.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 0.744 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -138.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.2 OUTLIER -91.5 142.62 27.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.5 OUTLIER 155.78 134.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.0 m -80.3 -6.59 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -44.51 -26.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.463 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 13.6 m -67.81 -45.25 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 98' ' ' SER . 47.0 tptt -58.65 -45.87 88.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -50.35 73.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.507 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 15.7 t80 -62.74 -33.38 75.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.57 HD13 ' CE2' ' A' ' 116' ' ' PHE . 45.2 mt -67.38 -36.53 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.67 -20.55 64.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -74.9 68.58 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.63 163.96 21.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 136.97 98.65 0.51 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 60.4 m-20 63.14 49.77 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.529 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -136.07 166.57 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.529 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 0.5 OUTLIER -129.87 114.8 16.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 43' ' ' PHE . 2.1 pm0 -115.69 146.03 42.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.217 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 23.4 t90 -129.72 154.26 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.606 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 70.4 -172.84 41.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.422 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.1 m -124.16 122.75 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 110.358 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.577 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 19.9 t80 -79.73 151.03 30.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.3 OUTLIER -149.65 141.69 23.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.403 HD13 ' N ' ' A' ' 118' ' ' ILE . 4.4 mp -96.93 111.77 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.77 160.3 32.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.09 -106.57 2.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.61 -138.5 2.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.62 143.32 50.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.583 0.814 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.534 ' CE1' HD12 ' A' ' 9' ' ' ILE . 16.6 t80 -78.41 103.71 8.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.54 110.97 10.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.534 HD12 ' CE1' ' A' ' 7' ' ' PHE . 24.5 mt -106.32 134.23 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.49 109.69 8.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.29 164.1 27.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -24.96 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.209 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 94' ' ' ALA . 5.6 m-80 -113.87 138.79 49.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CE1' HG21 ' A' ' 9' ' ' ILE . 13.2 m-85 -133.75 135.51 43.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.572 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 35.5 m-85 -120.69 122.71 41.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.433 ' CD2' HG22 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -103.68 138.33 40.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.6 m -125.95 119.78 28.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.499 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 12.4 m-85 -109.89 102.32 50.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 137.54 21.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER 38.32 46.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.3 t -105.52 120.96 42.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.409 1.068 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.99 14.96 6.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 tp -70.29 135.51 48.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.431 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.3 p -86.49 162.61 17.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.67 -28.93 65.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -47.95 75.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 2.1 m120 -67.77 -44.09 78.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.515 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -65.84 -38.84 89.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.5 tm? -69.24 -37.16 77.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.43 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 78.7 p -67.88 -45.84 73.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.462 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 41.0 mt-30 -71.16 -46.54 61.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 10.0 mm -61.75 -46.79 95.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.517 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 69.2 m -63.76 -35.27 80.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 30' ' ' SER . 61.1 m-20 -83.07 -10.4 58.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.63 118.78 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.661 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 4.1 mt-30 -82.07 162.24 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.505 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -147.44 157.15 45.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.07 -2.98 13.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.555 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -113.49 -108.74 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.555 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.8 OUTLIER -170.07 133.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 6.7 mtpp -87.52 126.95 35.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.506 ' CD1' ' OD1' ' A' ' 40' ' ' ASN . 1.7 mp -103.27 -87.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.525 ' CE2' HD13 ' A' ' 104' ' ' ILE . 57.2 t80 -102.71 156.0 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.585 HD13 ' CE3' ' A' ' 113' ' ' TRP . 82.9 mt -139.42 115.17 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.35 126.77 55.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 54.5 mt -129.26 115.46 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.9 t -123.82 136.91 54.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 108.327 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -101.48 142.65 32.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' A' ' 50' ' ' LEU . 8.6 tp10 -145.12 134.37 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 2.2 mm? -98.57 134.76 41.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.402 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 38.7 m170 -80.83 153.58 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.05 -6.96 50.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.612 1.195 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -84.69 -0.49 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.62 3.07 84.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.402 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 20.8 pt-20 -96.63 132.78 25.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.94 14.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.428 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 6.3 t-80 -120.71 153.21 37.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.637 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -131.77 138.81 48.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.433 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -121.01 135.46 55.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.617 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.433 HG22 ' CD2' ' A' ' 16' ' ' LEU . 15.3 mt -136.47 137.06 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.572 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.4 tm? -138.84 110.6 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.422 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.4 mt -114.99 151.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.574 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.78 129.62 32.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -103.94 156.51 17.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -61.48 -33.85 74.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.55 158.54 19.92 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -59.9 118.89 6.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -98.71 144.72 27.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.88 117.24 34.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.441 ' O ' ' CE2' ' A' ' 7' ' ' PHE . 5.9 t -111.53 70.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 71' ' ' THR . 0.6 OUTLIER -94.26 30.2 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -163.02 117.32 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.449 HE22 ' CD2' ' A' ' 88' ' ' HIS . 0.0 OUTLIER -87.05 44.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -118.33 -17.32 9.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.661 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 24.5 t80 -77.05 -39.15 51.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -87.85 12.8 12.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -66.93 105.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -107.04 139.5 41.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.555 HG13 ' CD2' ' A' ' 86' ' ' HIS . 2.3 m -123.25 163.92 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.4 t -85.78 118.83 71.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.415 1.745 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.9 p -111.59 -20.61 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.43 143.01 48.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.03 56.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.0 143.25 50.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.555 ' CD2' HG13 ' A' ' 79' ' ' VAL . 24.2 m170 -108.22 147.92 30.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.534 1.146 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 12.1 m-85 -126.17 131.55 52.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.449 ' CD2' HE22 ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.62 101.68 44.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.0 151.41 39.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.813 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -87.66 125.53 34.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -89.44 129.26 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.3 133.12 38.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.51 122.56 6.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 13' ' ' ASN . . . -76.79 113.43 14.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -87.83 44.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -132.56 176.01 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 m -107.99 -97.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.938 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.8 m -80.61 -8.18 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.049 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -44.84 -27.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.375 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.59 HG23 ' CZ ' ' A' ' 116' ' ' PHE . 5.7 m -67.56 -44.53 86.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -55.16 -40.82 71.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.82 85.21 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.957 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -71.2 -32.96 69.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.525 HD13 ' CE2' ' A' ' 43' ' ' PHE . 90.7 mt -59.75 -34.36 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -32.27 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -72.09 66.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.11 -177.82 6.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.37 91.23 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 60.41 35.27 20.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.43 164.41 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.9 tt -105.41 148.98 26.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.29 131.67 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.585 ' CE3' HD13 ' A' ' 44' ' ' ILE . 5.2 t90 -141.23 154.53 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 108.028 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.583 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 64.64 177.71 5.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.477 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.7 m -126.44 130.1 50.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 0.818 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.59 ' CZ ' HG23 ' A' ' 100' ' ' VAL . 4.9 t80 -80.04 147.51 31.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 115' ' ' THR . 1.0 OUTLIER -133.14 113.87 13.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.8 mt -90.88 146.44 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -83.28 128.89 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 111.63 -87.49 0.47 Allowed Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 110.332 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 51.04 176.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.593 1.183 . . . . 0.0 111.031 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -131.93 154.76 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.35 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.582 ' CZ ' HD12 ' A' ' 9' ' ' ILE . 9.8 t80 -78.75 102.42 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.442 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -132.7 113.67 13.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.582 HD12 ' CZ ' ' A' ' 7' ' ' PHE . 27.9 mt -108.53 133.8 52.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 111.18 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.24 28.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -84.31 -26.82 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.446 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 22.7 m-80 -118.37 142.18 47.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.52 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.9 m-85 -131.79 142.46 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 31.8 m-85 -120.11 123.66 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -104.94 132.94 50.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.546 HG21 ' CD2' ' A' ' 57' ' ' HIS . 99.3 m -125.14 122.27 36.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.439 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 11.9 m-85 -108.17 102.81 47.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 133.12 16.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' CG ' ' HD2' ' A' ' 56' ' ' PRO . 6.3 tttp 39.62 51.46 2.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -111.79 125.53 54.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.241 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.07 15.29 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.46 135.52 48.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.439 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 6.5 p -86.96 164.88 16.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.56 -28.89 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.69 -48.25 72.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 8.2 m120 -66.35 -44.81 82.2 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.81 -34.8 77.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.1 tm? -69.1 -43.16 75.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.412 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 3.4 t -67.84 -45.73 73.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.951 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' CB ' HD22 ' A' ' 78' ' ' LEU . 6.2 mt-30 -66.74 -46.8 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.2 mm -64.65 -45.95 93.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.491 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 54.0 m -63.22 -39.32 94.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.2 m120 -79.78 -9.29 59.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.563 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.44 117.96 16.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.644 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -79.19 161.06 26.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.497 ' OG1' ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.79 154.96 44.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.465 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.06 -3.72 14.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.544 1.812 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.603 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -111.37 -108.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.3 OUTLIER -169.59 132.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.507 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 6.2 mtpp -90.18 124.44 34.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 65' ' ' GLU . 4.4 mp -104.63 -84.46 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.449 ' HB2' ' HA ' ' A' ' 116' ' ' PHE . 53.3 t80 -102.75 152.1 21.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.461 HG12 ' CG2' ' A' ' 62' ' ' ILE . 67.8 mt -141.22 116.71 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -113.0 128.33 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.23 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 62.4 mt -128.67 116.29 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -127.5 135.04 49.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.17 . . . . 0.0 108.287 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -96.52 143.7 27.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.387 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 57' ' ' HIS . 8.5 tp10 -141.9 133.46 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -97.87 135.03 40.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.414 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 52.3 m170 -86.44 153.64 21.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.42 -6.74 48.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -86.15 0.33 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.42 4.87 87.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 12.8 pt-20 -96.26 126.94 42.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.556 0.798 . . . . 0.0 110.237 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.07 123.63 7.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.546 ' CD2' HG21 ' A' ' 17' ' ' THR . 2.7 t-80 -119.89 155.52 32.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 tt -136.23 141.8 43.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.436 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -116.25 146.56 42.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.582 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.406 ' CG2' HD13 ' A' ' 62' ' ' ILE . 8.3 mt -142.04 139.97 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.37 110.55 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.461 ' CG2' HG12 ' A' ' 44' ' ' ILE . 2.6 mt -119.63 154.21 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -133.31 142.08 48.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.44 ' CG ' HG23 ' A' ' 39' ' ' THR . 88.0 m-85 -118.26 156.24 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 1.4 tm-20 -66.21 -33.25 75.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.03 154.01 17.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.162 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -58.7 112.21 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.794 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.52 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 5.1 t80 -88.26 142.25 27.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.424 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -104.06 109.34 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.4 t -108.2 70.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.356 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.442 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 2.3 t -96.72 32.19 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -168.38 113.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -76.42 54.81 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -119.76 -24.52 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.623 1.202 . . . . 0.0 110.276 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.644 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.6 t80 -76.5 -39.49 52.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -87.93 13.14 11.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 70.0 m-20 -66.6 107.46 2.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.472 HD22 ' CB ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -108.81 136.18 48.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.543 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.5 m -128.45 164.77 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 83' ' ' ARG . 44.3 t -85.14 118.92 71.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.5 20.14 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -18.32 13.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 80' ' ' SER . 4.6 ttp180 -132.91 143.44 49.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.9 t -77.37 55.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.26 136.76 51.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.543 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 17.7 m170 -108.45 143.33 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -126.53 133.94 51.0 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.4 ' ND1' ' C ' ' A' ' 88' ' ' HIS . 0.2 OUTLIER -113.66 101.61 53.93 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.599 1.187 . . . . 0.0 109.585 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.04 161.93 37.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -87.12 124.99 33.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' A' ' 14' ' ' TYR . 10.4 mt -92.29 130.92 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -135.11 133.22 39.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.74 114.3 4.51 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.18 113.16 21.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -62.01 -152.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.547 ' O ' ' CB ' ' A' ' 97' ' ' SER . 1.0 OUTLIER -87.81 142.46 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.386 1.054 . . . . 0.0 110.021 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.8 p 155.05 143.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 p -80.43 -5.93 57.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -44.78 -26.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.557 HG23 ' CZ ' ' A' ' 116' ' ' PHE . 19.4 m -67.95 -42.05 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 98' ' ' SER . 1.4 tmmm? -61.26 -42.51 98.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -44.24 84.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.429 1.081 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.473 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 43.4 t80 -71.18 -33.82 70.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.484 HD11 ' CD1' ' A' ' 116' ' ' PHE . 71.5 mt -65.78 -40.02 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -19.68 65.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -74.88 67.03 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.84 173.05 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 127.98 98.56 0.97 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.8 OUTLIER 62.53 45.57 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -132.71 161.85 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.445 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 4.6 tt -104.88 126.56 52.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -116.87 126.19 52.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.263 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -133.87 137.17 44.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.12 -176.83 46.4 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.505 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -125.29 137.38 54.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 0.735 . . . . 0.0 110.424 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.557 ' CZ ' HG23 ' A' ' 100' ' ' VAL . 27.4 t80 -79.94 150.53 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 115' ' ' THR . 20.5 mp0 -114.36 136.54 52.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.9 mm -83.7 122.82 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.75 96.85 1.79 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.075 . . . . 0.0 109.353 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -177.84 177.31 48.34 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.52 151.7 7.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.75 140.5 32.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.573 ' CZ ' HD12 ' A' ' 9' ' ' ILE . 9.9 t80 -74.27 102.39 4.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.73 115.32 15.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.573 HD12 ' CZ ' ' A' ' 7' ' ' PHE . 22.0 mt -107.37 133.6 51.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.78 111.81 10.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.19 163.5 28.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -33.98 26.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -114.49 144.91 42.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.479 ' CE1' HG22 ' A' ' 9' ' ' ILE . 9.1 m-85 -132.16 141.68 49.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.559 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 22.5 m-85 -118.33 121.12 39.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.483 HD12 ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -104.63 130.05 52.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 m -118.8 127.05 53.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.526 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 2.7 m-85 -117.39 103.14 51.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.93 135.33 19.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 37.77 49.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.4 t -103.32 122.73 45.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 108.285 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.77 13.62 8.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -71.04 135.01 47.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.436 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 8.2 p -86.49 156.38 20.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.482 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.02 -29.13 70.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -47.77 74.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 4.2 m120 -67.68 -43.85 79.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.12 -37.23 83.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 1.061 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.4 tm? -69.04 -41.1 78.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 1.1 p -68.55 -45.86 71.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.462 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 8.2 mt-30 -67.74 -46.56 71.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm -63.84 -46.18 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 54.4 m -63.78 -38.39 90.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.6 m120 -80.99 -9.04 59.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.7 118.64 17.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.634 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 7.9 tt0 -80.18 162.53 24.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.476 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.15 157.4 46.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.393 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.755 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.582 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -115.66 -107.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.582 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -168.43 137.12 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -90.27 121.2 32.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.407 HD11 ' ND2' ' A' ' 40' ' ' ASN . 1.1 mp -96.38 -86.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' C ' HG13 ' A' ' 44' ' ' ILE . 52.2 t80 -103.42 157.69 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 43' ' ' PHE . 75.3 mt -142.16 116.58 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -111.85 124.37 52.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.438 HG21 ' CB ' ' A' ' 25' ' ' LYS . 39.4 mt -128.78 115.92 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -127.43 137.95 52.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 108.297 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -99.96 140.8 33.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 50' ' ' LEU . 11.6 tp10 -149.43 133.53 17.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 9.8 mp -98.97 135.42 40.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.543 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 58.5 m170 -80.74 156.06 26.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.5 -6.59 31.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -82.33 0.87 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.08 2.22 90.59 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.402 1.064 . . . . 0.0 110.987 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -96.37 134.14 23.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.437 0.727 . . . . 0.0 110.361 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 123.46 7.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.419 1.747 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.543 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 5.3 t-80 -111.74 154.93 24.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.638 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -133.24 141.37 48.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.451 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -121.31 141.56 50.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.555 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.7 mt -142.21 136.77 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.63 109.98 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.421 ' N ' HD21 ' A' ' 61' ' ' LEU . 4.3 mt -115.7 150.62 17.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.215 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.55 ' HG2' ' CD1' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.67 117.19 14.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -90.97 156.18 18.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.94 74.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.75 157.45 19.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -58.93 114.24 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.435 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 3.6 t80 -92.34 141.21 28.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.434 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -101.89 107.9 19.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.1 t -104.98 70.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.365 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.3 t -93.9 30.38 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.422 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -164.29 118.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.463 ' HG2' ' CD1' ' A' ' 91' ' ' ILE . 27.1 mt-30 -84.58 46.28 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 34.7 mtt180 -117.67 -20.35 8.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.634 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.1 t80 -76.71 -39.61 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.483 ' CD2' HD12 ' A' ' 16' ' ' LEU . 10.2 m-85 -87.94 12.84 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.9 m-20 -66.68 110.9 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -110.92 137.16 48.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.537 ' CG1' ' CG ' ' A' ' 86' ' ' HIS . 5.2 m -126.36 163.88 27.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 7.2 t -85.72 118.74 71.16 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.55 12.69 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.4 p -113.56 -20.73 11.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.472 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 80' ' ' SER . 1.6 ttp85 -133.65 144.24 49.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.09 55.1 1.11 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.422 ' HB1' ' CZ ' ' A' ' 83' ' ' ARG . . . -128.77 130.66 47.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.537 ' CG ' ' CG1' ' A' ' 79' ' ' VAL . 23.5 m170 -100.71 146.28 27.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.556 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 15.7 m-85 -126.23 131.26 51.99 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.4 100.55 50.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.626 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -74.96 162.86 36.52 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -87.94 124.43 33.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.463 ' CD1' ' HG2' ' A' ' 73' ' ' GLN . 9.2 mt -91.35 130.85 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -135.29 133.3 38.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.229 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.8 114.24 4.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.31 113.56 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -67.46 -125.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 97' ' ' SER . 7.1 t -102.4 142.84 32.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.972 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.5 OUTLIER 156.07 132.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 101' ' ' LYS . 3.1 m -78.82 -6.91 57.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.6 -26.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.487 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 16.5 m -67.69 -43.96 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -61.16 -41.8 97.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -54.22 49.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -62.44 -33.68 75.3 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.609 HD13 ' CD1' ' A' ' 116' ' ' PHE . 32.6 mt -60.83 -49.44 84.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -25.84 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.223 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.475 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -75.08 67.8 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -82.84 173.63 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 151.81 89.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 1.2 m-20 62.67 34.32 14.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 0.812 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.84 157.31 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 112' ' ' GLU . 4.6 tt -105.12 138.9 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.418 ' N ' ' CD2' ' A' ' 111' ' ' LEU . 1.2 pm0 -134.84 141.23 46.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.68 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 13.5 t90 -134.2 154.12 51.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.68 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.18 -177.02 21.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.473 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -123.93 127.18 47.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 110.358 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.609 ' CD1' HD13 ' A' ' 104' ' ' ILE . 19.0 t80 -79.74 148.19 31.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.5 OUTLIER -149.82 136.47 19.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.231 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.7 mp -96.06 139.03 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -77.2 -55.96 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -66.03 -122.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.292 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.6 162.24 13.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.25 148.61 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.346 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.582 ' CZ ' HD13 ' A' ' 9' ' ' ILE . 9.3 t80 -74.47 101.56 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.413 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.9 t -133.56 119.22 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.582 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 38.2 mt -109.39 133.76 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.24 110.32 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.51 27.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -83.42 -34.07 25.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -115.14 145.52 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.531 ' CE1' HG21 ' A' ' 9' ' ' ILE . 8.5 m-85 -133.29 142.29 48.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.571 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 19.0 m-85 -118.97 123.08 43.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -106.13 136.0 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.185 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 m -123.9 123.32 40.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.575 ' CE1' HD11 ' A' ' 60' ' ' ILE . 9.2 m-85 -111.63 102.04 52.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.5 Cg_endo -75.03 134.94 18.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.2 ttmm 39.77 56.33 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.5 t -114.65 125.05 53.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 108.303 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -86.6 13.52 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.98 133.89 46.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.439 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.9 p -87.1 164.19 16.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.18 -29.65 66.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.59 -45.27 79.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 4.1 m120 -69.69 -42.93 73.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.13 -35.86 76.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.547 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.2 tm? -68.65 -47.12 67.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 m -67.0 -45.36 77.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -64.04 -35.94 82.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 110.28 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.8 mm -65.99 -34.42 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.547 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.5 -40.31 92.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -73.52 -13.41 61.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -73.43 112.37 9.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.624 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 5.4 pt20 -83.64 162.16 20.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.473 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.42 156.33 45.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.366 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.454 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.88 -3.17 13.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.047 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.607 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -115.86 -107.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.607 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.1 t30 -168.52 142.6 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -90.57 125.43 35.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD13 ' ND2' ' A' ' 40' ' ' ASN . 1.4 tp -103.4 -83.93 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.4 ' CD2' ' HD2' ' A' ' 116' ' ' PHE . 47.0 t80 -103.51 153.0 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -137.23 118.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' CE ' HG22 ' A' ' 110' ' ' VAL . 8.3 tptt -118.38 119.5 34.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.643 1.215 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 47.3 mt -127.5 115.12 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.392 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -127.9 138.56 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.46 ' HD3' ' CD2' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -97.04 142.65 28.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.177 . . . . 0.0 110.327 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' OE2' ' N ' ' A' ' 50' ' ' LEU . 9.0 tp10 -142.47 134.39 27.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD2' ' HD3' ' A' ' 48' ' ' ARG . 2.8 mm? -98.29 135.04 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 38.2 m170 -82.44 154.33 25.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.96 -6.87 49.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -85.84 -0.69 56.02 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.372 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.22 4.4 83.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.046 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 12.9 pt-20 -96.55 131.41 28.33 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 124.17 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.594 1.839 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.411 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 3.7 t-80 -114.51 155.2 26.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.554 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.01 139.8 48.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.411 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -118.3 142.57 47.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.575 HD11 ' CE1' ' A' ' 18' ' ' TYR . 73.0 mt -142.46 137.19 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.61 110.66 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.455 HD11 ' CG2' ' A' ' 60' ' ' ILE . 2.7 mt -117.25 147.66 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.243 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.35 118.23 15.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.43 ' CB ' HG23 ' A' ' 39' ' ' THR . 35.2 m-85 -91.41 157.55 17.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -33.61 73.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.24 159.93 19.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -58.87 118.15 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.242 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.542 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 4.0 t80 -96.77 141.56 29.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.432 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -100.34 107.0 18.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.4 t -103.86 69.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 108.245 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.413 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.4 t -95.04 30.84 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -162.05 122.8 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.451 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 12.8 mt-30 -87.54 41.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.27 -18.99 10.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.624 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.3 t80 -77.05 -39.41 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.506 ' CD2' HG12 ' A' ' 91' ' ' ILE . 21.2 m-85 -87.99 12.82 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -66.9 108.21 2.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.516 ' CD1' ' OH ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -109.02 137.14 47.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.528 HG13 ' CD2' ' A' ' 86' ' ' HIS . 2.2 m -121.76 163.83 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.0 t -85.78 119.26 71.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.057 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -6.09 17.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.782 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.97 -20.28 12.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.7 OUTLIER -132.91 142.35 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.9 t -76.15 56.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.25 144.58 51.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.528 ' CD2' HG13 ' A' ' 79' ' ' VAL . 25.1 m170 -108.34 146.92 32.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.585 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 12.6 m-85 -126.36 131.47 51.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.72 100.34 42.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 158.88 41.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.613 1.849 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -87.3 115.63 24.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.506 HG12 ' CD2' ' A' ' 76' ' ' PHE . 10.0 mt -85.34 130.33 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.5 133.09 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.3 113.89 3.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.28 113.04 21.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.754 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -68.76 -145.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.419 1.075 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.554 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.1 OUTLIER -89.03 142.28 27.77 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.8 t 155.3 140.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 110.009 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.0 p -80.23 -5.61 56.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.945 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -44.96 -26.34 0.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.42 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 17.0 m -68.75 -42.6 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.377 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -62.94 -40.21 96.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -47.14 82.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.444 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 16.4 t80 -68.24 -41.3 81.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.03 -26.19 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -81.65 -39.04 24.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.733 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -73.28 63.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.95 -166.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.55 100.69 0.83 Allowed Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.59 31.62 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 0.702 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.454 HG22 ' CE ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -116.09 166.03 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.18 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.477 ' CD2' ' HG ' ' A' ' 29' ' ' LEU . 4.6 tt -104.64 135.43 46.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -123.44 132.21 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.654 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 9.6 t90 -141.34 149.28 40.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 108.01 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.654 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.85 178.74 10.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -123.67 129.5 51.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 0.807 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.42 ' CZ ' HG22 ' A' ' 100' ' ' VAL . 14.6 t80 -79.75 151.11 30.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 115' ' ' THR . 18.3 mm-40 -106.34 90.51 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.0 mp -85.68 118.67 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -81.16 163.98 22.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.98 167.42 35.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.557 0.798 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.26 138.5 5.48 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.428 1.08 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 8' ' ' SER . 1.3 tmm_? -129.91 151.42 50.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.583 ' CZ ' HD13 ' A' ' 9' ' ' ILE . 11.0 t80 -76.71 102.78 6.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.417 ' HB2' ' NH1' ' A' ' 6' ' ' ARG . 0.8 OUTLIER -132.6 113.96 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.941 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.583 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 18.2 mt -106.55 134.28 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -134.51 111.24 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.22 163.63 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -33.67 24.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.43 ' HB2' ' CB ' ' A' ' 94' ' ' ALA . 3.3 m-80 -114.67 146.74 40.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.423 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 13.1 m-85 -133.52 142.34 48.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.568 ' CE2' HD22 ' A' ' 61' ' ' LEU . 19.0 m-85 -120.25 119.88 34.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -104.41 130.66 52.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -118.15 134.25 55.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.473 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 1.1 m-85 -126.48 102.15 26.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.98 140.57 25.67 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.788 . . . . 0.0 111.064 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 18.4 ptmt 39.25 36.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.517 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.6 t -92.4 121.24 33.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 108.253 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.64 12.71 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 tp -71.16 134.28 46.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.418 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.1 p -86.53 160.82 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -67.75 -28.75 67.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.48 -48.66 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.418 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 10.0 m120 -65.23 -44.27 88.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.37 -32.43 71.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.228 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' THR . 0.6 OUTLIER -69.38 -44.3 71.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -43.93 72.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.433 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 32.3 mt-30 -65.89 -48.24 72.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 9.9 mm -65.48 -45.35 93.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 42.9 m -62.69 -38.34 90.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.25 -10.26 59.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.59 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.53 118.43 17.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 16.2 mt-30 -81.43 162.54 23.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.493 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -147.11 158.81 44.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.493 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -74.96 -6.74 18.46 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.593 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.45 -105.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.593 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.3 t30 -172.43 141.07 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 4.8 mtpm? -89.7 116.72 28.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tp -84.11 -64.55 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.228 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.666 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 21.5 t80 -137.29 164.38 28.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.666 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 5.4 mt -135.91 124.62 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -116.37 108.17 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.418 ' O ' ' HB ' ' A' ' 110' ' ' VAL . 79.9 mt -115.64 115.54 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -128.78 139.88 51.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -96.57 142.83 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 110.361 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 57' ' ' HIS . 7.3 tt0 -143.96 134.45 24.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -98.02 135.1 40.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.49 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 40.7 m170 -85.51 154.63 21.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.11 -6.64 50.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -82.74 2.18 35.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.79 -1.21 89.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 16.2 pt-20 -96.75 138.8 21.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 110.256 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.59 14.45 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.49 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 4.7 t-80 -117.54 154.99 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.656 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.461 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -133.17 140.64 47.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.436 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -118.97 143.93 46.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.645 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.423 ' CG2' HD11 ' A' ' 62' ' ' ILE . 5.2 mt -142.53 134.89 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 15' ' ' PHE . 1.2 tm? -138.41 110.19 7.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.385 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.469 ' N ' HD21 ' A' ' 61' ' ' LEU . 2.1 mt -114.86 150.19 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.263 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.576 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.26 116.72 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -91.52 156.19 17.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -33.6 74.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.61 159.59 20.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -58.92 120.17 8.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.228 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.477 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 4.5 t80 -100.94 142.37 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.78 117.47 34.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.76 70.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 108.289 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.444 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.1 t -93.09 29.48 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -161.04 119.73 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.477 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 32.2 mt-30 -86.59 42.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 43.7 mtt85 -117.48 -18.95 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 13.9 t80 -76.85 -39.52 50.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -87.85 12.4 13.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.412 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.6 m-20 -67.71 110.46 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -105.66 136.23 45.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.455 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 3.1 m -124.64 163.44 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 7.7 t -86.39 118.29 70.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -2.28 12.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.0 p -113.59 -20.61 11.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 110.388 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' SER . 17.9 ttt180 -133.62 144.04 48.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.01 56.93 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.7 131.4 44.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.455 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 24.3 m170 -102.25 146.13 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.531 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.5 m-85 -126.52 132.12 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.66 101.45 43.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.94 159.91 41.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -87.52 121.49 30.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 12.4 mt -87.79 130.43 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.27 132.97 38.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.5 114.18 4.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.43 ' CB ' ' HB2' ' A' ' 13' ' ' ASN . . . -86.31 113.49 22.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -150.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 97' ' ' SER . 7.0 t -89.6 142.87 27.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.6 OUTLIER 155.12 139.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.1 m -80.38 -6.81 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -44.73 -26.07 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.537 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 15.1 m -67.67 -43.38 86.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 98' ' ' SER . 10.8 tptt -62.42 -42.2 99.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.1 t -57.68 -45.82 85.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.908 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -69.08 -35.69 76.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 116' ' ' PHE . 56.2 mt -65.77 -38.2 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 109.382 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -30.47 70.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -75.02 73.66 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -82.77 167.3 18.27 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 151.52 94.15 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 7.1 m-20 64.6 32.7 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -121.96 162.18 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.421 HD21 ' N ' ' A' ' 112' ' ' GLU . 8.0 tt -105.05 145.57 30.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.175 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.421 ' N ' HD21 ' A' ' 111' ' ' LEU . 42.9 mt-10 -130.78 125.5 33.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.654 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.3 t90 -130.21 151.32 50.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 108.068 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.654 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.51 -177.76 16.28 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.575 1.172 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.436 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.0 m -123.41 117.42 25.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.576 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 5.1 t80 -79.66 147.72 31.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.163 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.2 OUTLIER -145.98 125.21 12.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.1 mp -80.38 136.93 22.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -156.84 129.32 7.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.23 129.55 1.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.14 66.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.588 1.18 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.04 157.86 26.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 16.3 t80 -74.1 103.1 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 p -132.27 119.09 20.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.402 HD13 ' CE1' ' A' ' 7' ' ' PHE . 51.1 mt -110.62 135.49 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.53 110.7 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 164.05 27.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.39 -24.27 24.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.187 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -113.84 136.08 53.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.606 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.4 m-85 -133.48 133.26 42.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.572 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 40.0 m-85 -120.88 125.18 46.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 HD12 ' CD2' ' A' ' 76' ' ' PHE . 1.4 mm? -104.13 133.56 48.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -119.55 125.94 50.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.516 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 6.6 m-85 -115.42 102.16 54.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 137.68 21.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 pttt 40.1 46.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.6 t -108.13 120.59 42.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.22 15.11 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -70.18 135.67 49.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.41 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.0 p -86.76 165.66 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.49 -28.9 64.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -66.13 -48.55 70.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.41 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 10.5 m120 -65.52 -44.39 87.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.493 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.66 -34.08 75.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.4 tm? -69.09 -40.92 78.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 71.9 m -68.17 -44.78 75.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.467 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 35.4 mt-30 -68.13 -48.29 65.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.466 HG21 ' CD1' ' A' ' 62' ' ' ILE . 20.8 mm -62.44 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.267 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 54.5 m -63.13 -32.95 74.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.466 ' N ' HD21 ' A' ' 34' ' ' ASN . 1.4 m-80 -84.16 -11.21 56.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.32 117.76 16.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.571 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -79.48 163.16 24.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.543 ' OG1' HG23 ' A' ' 39' ' ' THR . 1.2 t -146.32 153.72 48.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.541 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.04 -15.84 20.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.57 1.826 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.543 HG23 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -101.59 -93.46 0.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.483 ' H ' ' CG2' ' A' ' 39' ' ' THR . 0.8 OUTLIER 178.1 140.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HE2' ' O ' ' A' ' 32' ' ' ILE . 7.8 mtpp -88.66 123.35 33.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.427 HD21 ' CG ' ' A' ' 117' ' ' GLN . 1.1 mp -96.15 -86.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 50.9 t80 -103.61 154.24 19.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.055 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.5 mt -145.16 115.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -136.11 128.69 30.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 3.3 mt -118.97 115.13 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.453 ' HA ' ' CG1' ' A' ' 110' ' ' VAL . 10.6 t -110.72 138.63 46.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 108.293 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -96.97 144.13 27.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.24 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 57' ' ' HIS . 28.0 tt0 -145.57 135.52 23.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.09 134.85 40.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.45 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 34.1 m170 -84.15 154.49 23.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.666 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.64 -6.94 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -83.21 1.16 42.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.78 0.69 89.15 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.44 136.92 21.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.53 7.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 5.1 t-80 -108.62 154.89 21.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.463 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -130.34 138.08 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.425 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -118.39 144.34 45.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 109.675 179.889 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.482 HD11 ' CZ ' ' A' ' 18' ' ' TYR . 9.5 mt -139.24 139.84 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.572 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -138.61 110.62 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.934 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 32' ' ' ILE . 5.7 mt -119.07 151.97 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.556 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 25.3 tt0 -128.93 143.23 50.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.437 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 92.1 m-85 -119.2 147.72 43.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -33.6 75.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.43 164.15 20.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -59.61 109.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.606 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.4 t80 -90.99 135.28 33.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.449 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.42 110.26 22.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.5 t -105.68 71.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 108.373 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.3 t -95.93 31.67 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.351 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -153.91 122.85 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.523 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 2.2 pt20 -86.8 26.21 1.16 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.6 mtp180 -115.57 -11.49 11.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.403 1.064 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.571 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.7 t80 -77.81 -21.48 51.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.402 ' CD2' HD12 ' A' ' 16' ' ' LEU . 19.4 m-85 -112.91 13.31 19.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.448 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.3 m-20 -66.63 106.14 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -104.19 136.03 44.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.506 HG13 ' CG ' ' A' ' 86' ' ' HIS . 2.7 m -122.69 163.62 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 83' ' ' ARG . 11.8 t -86.31 118.35 70.2 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.65 12.82 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.0 p -113.44 -20.66 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 12.2 ttm180 -133.6 144.33 49.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.68 56.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.67 134.09 47.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.506 ' CG ' HG13 ' A' ' 79' ' ' VAL . 26.3 m170 -104.88 146.36 29.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.632 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 15.9 m-85 -126.59 132.69 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -111.75 100.8 49.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.632 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.516 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.01 159.29 41.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -87.2 131.71 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 7.6 mt -97.29 119.61 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.465 ' CG ' ' HB2' ' A' ' 15' ' ' PHE . 12.5 pt20 -135.96 132.79 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.61 130.05 10.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.594 1.184 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.93 113.28 14.45 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.52 0.776 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -5.49 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' CB ' ' A' ' 99' ' ' ASP . 2.9 m -101.58 174.3 6.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.2 p -118.73 -56.8 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.077 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.1 m -80.12 -24.95 40.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.441 ' CB ' ' CB ' ' A' ' 96' ' ' SER . 26.4 t70 -45.59 -24.8 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.371 1.044 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.494 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 18.3 m -67.55 -45.06 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -57.38 -38.94 75.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 t -58.13 -46.46 85.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 2.4 t80 -71.16 -34.29 70.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 67.0 mt -63.75 -32.87 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.64 -24.77 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -74.86 68.48 1.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -83.07 -178.26 7.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.224 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.0 77.52 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.57 70.76 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 47' ' ' CYS . 6.2 m -140.94 166.0 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 112' ' ' GLU . 6.1 tt -104.95 143.16 33.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.608 1.193 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.416 ' N ' ' CD2' ' A' ' 111' ' ' LEU . 0.7 OUTLIER -120.45 128.37 53.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.644 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.9 t90 -141.8 153.92 44.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.644 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 59.7 174.63 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.462 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -124.11 122.32 37.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.556 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 5.9 t80 -80.07 151.34 29.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.0 OUTLIER -144.52 107.1 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.7 mt -79.98 147.93 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -73.27 -51.88 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.228 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 165.42 153.65 7.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 110.311 179.994 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.35 74.78 0.69 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -131.29 124.08 29.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.3 t80 -76.97 102.5 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.63 113.02 12.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.445 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 71.7 mt -106.31 133.41 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -134.73 110.44 9.24 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.37 163.47 27.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -86.5 -26.34 24.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 6.3 m-80 -117.22 135.24 53.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.4 m-85 -127.44 142.35 51.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 12.8 m-85 -119.72 122.05 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.76 129.4 53.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 m -121.04 118.28 29.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.453 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.526 ' OH ' ' CD1' ' A' ' 78' ' ' LEU . 17.4 m-85 -107.51 101.78 41.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.04 138.8 23.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 7.1 mttt 39.89 46.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.493 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.8 t -105.98 120.97 43.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 108.346 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.04 14.55 7.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.63 135.17 49.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.459 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.2 p -85.08 162.2 19.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.9 -29.6 66.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -48.17 74.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.459 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 4.1 m120 -66.52 -44.09 83.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.433 ' O ' ' HB ' ' A' ' 32' ' ' ILE . . . -67.65 -33.08 74.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 33' ' ' THR . 0.5 OUTLIER -69.15 -44.81 71.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.426 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 66.0 m -67.83 -44.69 76.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.542 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 10.8 mt-30 -65.9 -47.75 73.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CG2' HD12 ' A' ' 62' ' ' ILE . 18.7 mm -64.44 -45.47 95.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.455 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 54.4 m -62.48 -38.44 89.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.449 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 30' ' ' SER . 28.0 m120 -81.6 -7.72 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -74.92 119.09 18.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.623 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 35.2 mt-30 -81.14 163.34 23.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.427 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -146.32 160.79 41.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 -22.74 14.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.781 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -100.37 -99.15 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.563 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.3 t30 -175.2 144.64 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -90.46 118.71 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.501 HD23 ' CG ' ' A' ' 117' ' ' GLN . 1.7 tp -89.98 -59.89 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 116' ' ' PHE . 37.4 t80 -137.28 157.36 46.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.8 mt -138.41 116.8 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.521 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 8.4 tptt -116.74 117.29 29.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.228 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.434 ' O ' ' HB ' ' A' ' 110' ' ' VAL . 22.0 mt -118.75 114.98 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.5 t -124.86 136.55 53.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 108.296 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 28.8 ttt180 -103.36 142.38 34.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -141.85 132.66 25.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.12 135.29 40.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 29.1 m170 -83.03 153.74 24.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.562 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.77 -6.57 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -86.38 -2.64 58.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.65 5.92 77.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 15.5 pt-20 -96.66 127.01 41.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.81 18.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.436 1.756 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.462 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 5.8 t-80 -127.12 152.04 47.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 109.542 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -128.54 139.87 52.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.618 1.199 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.462 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -122.66 141.37 51.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.567 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.5 mt -142.85 139.46 27.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 tm? -138.41 109.47 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.483 HD12 ' CG2' ' A' ' 32' ' ' ILE . 5.8 mt -116.95 147.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.02 115.94 13.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 36.8 m-85 -90.26 157.19 17.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -33.74 73.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.86 156.62 18.91 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.504 1.127 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -59.03 111.22 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 0.807 . . . . 0.0 109.366 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.471 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.5 t80 -87.88 137.79 32.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.454 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -96.76 107.47 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 10.4 t -106.17 69.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.5 t -94.03 30.65 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -163.91 115.8 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -80.94 48.76 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -118.2 -22.57 7.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.623 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.5 t80 -76.44 -38.71 55.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.947 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 91' ' ' ILE . 24.7 m-85 -87.77 12.21 13.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 69.0 m-20 -69.77 106.65 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.542 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -106.4 136.85 45.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.551 HG12 ' CD2' ' A' ' 86' ' ' HIS . 1.9 m -123.59 165.18 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 83' ' ' ARG . 31.3 t -84.75 119.54 72.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -6.24 17.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 p -111.45 -20.98 12.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.458 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.3 ttm-85 -133.99 145.36 49.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.38 54.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.47 132.92 52.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.551 ' CD2' HG12 ' A' ' 79' ' ' VAL . 24.1 m170 -102.15 147.15 26.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.612 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -126.16 133.29 51.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.24 101.38 45.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.51 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.06 159.51 41.05 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.25 119.68 27.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.425 HG12 ' CD2' ' A' ' 76' ' ' PHE . 21.1 mt -88.37 125.08 41.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -135.25 132.4 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.18 113.73 4.79 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.31 113.21 22.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -59.78 -111.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 97' ' ' SER . 16.3 t -121.16 141.46 50.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.5 OUTLIER 158.4 142.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.021 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 p -80.5 -5.94 57.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.039 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.26 -26.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.574 1.172 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 98' ' ' SER . 19.9 m -68.2 -43.41 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -57.63 -47.35 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.6 m -57.61 -48.91 78.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -62.9 -35.56 80.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.561 ' CD1' ' CE2' ' A' ' 116' ' ' PHE . 27.1 mt -69.23 -32.36 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -26.87 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -73.48 67.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.03 169.4 15.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.01 93.11 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 61.33 34.3 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.259 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 2.1 m -111.79 163.48 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.441 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 5.1 tt -105.26 145.62 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -129.96 130.74 45.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.221 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.569 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 5.9 t90 -137.46 142.98 41.57 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.569 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 74.81 -173.44 52.18 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.439 1.087 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -122.63 119.7 31.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.721 . . . . 0.0 110.362 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 21.0 t80 -79.67 151.07 30.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.501 ' CG ' HD23 ' A' ' 42' ' ' LEU . 34.2 mm-40 -98.37 103.54 15.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 0.0 110.386 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.487 ' CD1' ' HG2' ' A' ' 101' ' ' LYS . 10.1 mm -79.35 114.18 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -160.25 169.53 23.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.66 -151.54 12.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.93 166.99 29.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.439 1.087 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -131.93 146.14 51.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 0.763 . . . . 0.0 110.277 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.4 t80 -78.25 101.56 7.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.441 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.5 OUTLIER -133.27 119.93 20.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.946 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.48 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 21.8 mt -113.92 134.88 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.9 111.38 9.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.32 163.55 27.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -33.7 32.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -114.49 146.58 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.2 m-85 -133.56 144.19 49.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 61' ' ' LEU . 36.8 m-85 -120.14 124.59 46.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -104.22 128.81 51.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -119.49 119.37 33.66 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.575 ' CE1' HD11 ' A' ' 60' ' ' ILE . 6.3 m-85 -112.08 102.02 52.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.94 21.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 2.8 mtpp 39.24 45.32 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.6 t -100.64 121.5 41.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 108.244 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.81 14.21 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.7 tp -70.39 137.88 50.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.3 p -87.18 160.5 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.27 -30.04 68.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -47.89 72.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.467 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 4.1 m120 -65.48 -43.82 89.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.505 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.67 -34.58 75.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.1 tm? -69.25 -41.4 76.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -45.1 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.429 ' CD ' HD21 ' A' ' 78' ' ' LEU . 36.9 mt-30 -67.81 -48.14 67.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.0 mm -62.47 -45.68 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 52.5 m -65.04 -37.54 87.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.525 ' N ' HD21 ' A' ' 34' ' ' ASN . 1.1 m-80 -82.21 -8.74 59.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.596 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.47 118.66 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.349 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.63 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -82.61 162.35 21.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.485 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -147.22 157.92 45.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.05 -5.35 16.66 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.603 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.95 -107.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.451 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.4 t30 -170.85 142.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.247 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -90.58 116.4 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' HG ' ' NE2' ' A' ' 117' ' ' GLN . 1.2 tp -89.49 -59.1 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.464 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 59.6 t80 -137.16 155.07 50.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.0 mt -136.24 118.96 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -110.67 124.22 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.7 mt -128.19 116.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.2 t -126.2 138.86 53.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -96.84 142.43 28.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 57' ' ' HIS . 7.9 tp10 -140.37 136.77 33.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 56' ' ' PRO . 3.9 mm? -127.06 135.58 50.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.431 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 25.7 m170 -91.66 154.59 18.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.14 -6.64 53.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -83.09 -3.1 56.94 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.01 3.82 72.81 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 19.1 pt-20 -96.39 118.86 65.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.404 0.708 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.401 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.04 150.38 37.9 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.427 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 8.7 t-80 -140.48 152.28 45.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.619 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -133.57 135.88 44.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.433 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -121.78 137.21 54.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.559 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.575 HD11 ' CE1' ' A' ' 18' ' ' TYR . 77.4 mt -142.39 139.06 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -138.39 110.73 7.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.5 mt -115.12 149.64 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.517 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.41 116.61 14.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -91.14 156.44 17.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.34 -33.63 73.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.28 156.83 17.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -58.76 112.38 1.61 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 0.792 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.475 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 8.0 t80 -90.83 142.09 28.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.414 1.071 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.91 115.1 29.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 7.2 t -111.3 70.49 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 108.326 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.441 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 5.6 t -100.54 33.98 2.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -168.95 109.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.436 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -76.12 55.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.228 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -121.96 -25.56 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.4 t80 -76.4 -39.26 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.442 ' CD2' HG12 ' A' ' 91' ' ' ILE . 27.0 m-85 -88.32 12.87 12.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 65.2 m-20 -69.86 106.72 3.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.505 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -103.89 136.02 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.551 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.4 m -124.39 164.34 22.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 83' ' ' ARG . 41.6 t -85.43 118.77 71.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -5.54 16.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.782 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.6 p -111.57 -20.94 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.6 1.187 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.87 144.58 49.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.52 58.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.064 . . . . 0.0 110.057 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.37 135.48 48.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.551 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 24.8 m170 -108.25 145.91 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -126.53 136.57 52.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.09 103.05 52.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.642 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.0 160.12 40.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -87.47 118.02 26.64 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.442 HG12 ' CD2' ' A' ' 76' ' ' PHE . 13.3 mt -88.41 125.6 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -135.31 133.23 38.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.417 1.073 . . . . 0.0 110.23 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.16 114.18 4.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 95' ' ' LYS . . . -86.33 114.59 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -61.49 -138.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.543 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.5 OUTLIER -91.49 142.98 27.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.6 p 156.66 136.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.1 p -80.32 -7.18 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.93 -26.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.51 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 16.1 m -68.14 -43.53 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.8 OUTLIER -63.76 -43.34 96.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.46 -53.03 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.957 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -62.82 -35.48 80.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 116' ' ' PHE . 36.3 mt -62.46 -37.87 79.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -25.31 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -75.09 69.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.91 171.4 13.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 147.5 94.27 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 42.9 m-20 62.53 33.62 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.236 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.88 165.73 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.11 . . . . 0.0 109.235 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 25' ' ' LYS . 5.2 tt -105.02 145.66 30.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -132.81 123.6 26.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.663 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 7.2 t90 -130.72 148.43 52.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 108.007 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.663 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 69.29 -179.39 25.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.462 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.1 m -123.74 120.58 33.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 104' ' ' ILE . 7.5 t80 -79.76 149.79 31.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.4 OUTLIER -149.97 133.74 16.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.81 127.34 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -73.19 -55.22 6.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 170.62 124.22 0.74 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 110.296 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.66 151.35 22.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -126.26 119.95 28.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 110.369 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 13.7 t80 -76.91 103.35 6.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.98 110.55 10.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.3 mt -107.26 133.92 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -134.25 109.64 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.6 163.74 27.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 109.257 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -24.86 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -114.16 133.42 55.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.0 m-85 -129.6 138.33 51.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.583 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 38.2 m-85 -120.05 126.48 50.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.413 HD22 ' CG2' ' A' ' 60' ' ' ILE . 1.4 mm? -104.83 129.34 53.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.42 HG22 ' NE2' ' A' ' 57' ' ' HIS . 26.3 m -119.88 117.87 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.608 ' CD2' ' HB3' ' A' ' 89' ' ' PRO . 5.8 m-85 -111.38 102.68 53.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.06 142.02 27.17 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.602 1.843 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 7.5 pttt 37.84 37.28 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 11.7 t -93.13 118.84 31.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 108.243 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -86.46 11.97 11.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.0 tp -71.14 135.15 47.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.424 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 6.9 p -85.09 163.69 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -70.86 -28.16 64.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.23 -48.98 71.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.228 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.424 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 6.0 m120 -66.79 -43.81 82.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.14 -32.99 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -69.06 -44.63 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -68.4 -43.84 76.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.448 ' CB ' HD22 ' A' ' 78' ' ' LEU . 27.0 mt-30 -65.99 -48.42 71.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.403 ' HA ' ' HB2' ' A' ' 35' ' ' LEU . 17.8 mm -64.82 -45.36 95.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 46.2 m -62.9 -35.07 78.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -85.26 -8.79 58.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.573 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.58 119.01 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.639 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 13.3 pt20 -82.45 162.62 22.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.508 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -146.86 159.15 44.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.377 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.508 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.04 -3.5 14.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -116.54 -107.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.585 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -170.87 141.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -91.02 125.62 35.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.469 HD23 ' CG ' ' A' ' 117' ' ' GLN . 1.3 tp -100.43 -56.15 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.537 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 61.4 t80 -137.12 154.16 50.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.573 HD13 ' CE3' ' A' ' 113' ' ' TRP . 57.3 mt -138.27 118.09 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -110.58 125.31 53.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 60' ' ' ILE . 63.8 mt -128.76 115.62 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.3 m -129.85 139.42 51.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 108.261 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.9 147.27 24.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 57' ' ' HIS . 10.8 tp10 -140.33 157.23 45.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -126.53 134.76 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -93.82 156.44 16.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -6.91 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -84.23 -1.1 54.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.88 2.93 88.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.42 124.11 52.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.281 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.97 12.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' GLU . 5.2 t-80 -122.74 155.15 37.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.708 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 4.9 tt -132.65 141.83 48.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -117.53 142.18 47.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.586 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.457 ' CD1' HG12 ' A' ' 46' ' ' ILE . 5.8 mt -142.1 138.92 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.583 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -137.25 111.11 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.7 mt -114.7 149.31 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.545 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.76 116.75 14.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 179.919 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -91.12 156.85 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -33.51 72.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.25 158.1 20.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -58.9 121.01 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.444 ' CE1' ' CD ' ' A' ' 38' ' ' PRO . 7.0 t80 -100.27 142.72 31.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.14 108.37 20.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 10.5 t -102.99 68.62 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.248 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.5 t -95.49 31.11 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -162.58 117.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.453 ' HG3' ' CE2' ' A' ' 7' ' ' PHE . 1.1 mt-30 -86.53 43.22 1.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -116.64 -20.74 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.639 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.8 -39.45 51.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -87.88 12.55 12.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.4 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.4 m-20 -66.86 111.11 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.448 HD22 ' CB ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -108.46 136.92 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.456 HG13 ' CD2' ' A' ' 86' ' ' HIS . 5.6 m -125.83 163.91 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.36 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.1 t -85.76 117.8 69.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -3.84 14.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.442 1.759 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.6 p -111.95 -21.09 11.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 1.7 ttt180 -133.79 144.01 48.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.06 58.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.75 134.42 46.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.456 ' CD2' HG13 ' A' ' 79' ' ' VAL . 24.9 m170 -104.6 147.59 27.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.593 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -126.2 134.23 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.02 102.25 45.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.662 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.608 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.92 159.43 41.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -98.64 120.5 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.445 ' CG2' ' CD1' ' A' ' 14' ' ' TYR . 7.1 mt -85.89 129.94 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.381 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -135.16 132.98 38.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.51 120.77 6.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.08 113.06 14.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 0.733 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -4.77 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 99' ' ' ASP . 3.0 p -91.48 176.34 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 65.6 m -125.96 -65.5 0.99 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -80.21 -28.13 38.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 96' ' ' SER . 24.0 t70 -45.81 -24.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.438 ' N ' ' C ' ' A' ' 98' ' ' SER . 26.7 m -67.5 -42.39 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -60.39 -38.3 83.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 m -57.55 -46.81 83.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -71.4 -33.57 69.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 31.4 mt -63.63 -34.32 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.18 -23.91 63.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -74.12 67.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.1 -178.16 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.63 71.27 0.06 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.442 1.089 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.36 68.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 0.782 . . . . 0.0 109.272 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.85 166.61 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.423 ' HB2' ' CD ' ' A' ' 25' ' ' LYS . 5.3 tt -104.71 142.51 34.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -125.1 126.69 45.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.364 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.573 ' CE3' HD13 ' A' ' 44' ' ' ILE . 30.4 t90 -134.59 154.43 51.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.534 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.15 179.18 3.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.46 1.1 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.1 119.39 29.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.549 ' CD1' HD13 ' A' ' 118' ' ' ILE . 9.0 t80 -79.87 151.26 30.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.469 ' CG ' HD23 ' A' ' 42' ' ' LEU . 46.6 mm-40 -91.71 77.35 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 116' ' ' PHE . 30.5 mm -79.43 123.42 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.073 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.73 139.96 49.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -171.88 -137.54 2.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.466 1.104 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.433 0.725 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.39 121.64 4.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -112.38 150.78 30.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.552 ' CE1' HD13 ' A' ' 9' ' ' ILE . 10.8 t80 -77.91 102.89 7.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.14 110.85 10.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.068 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.552 HD13 ' CE1' ' A' ' 7' ' ' PHE . 33.5 mt -103.22 135.05 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 109.67 8.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.55 163.95 27.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.211 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -22.98 23.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 94' ' ' ALA . 4.0 m-80 -115.0 137.1 52.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.569 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.5 m-85 -133.91 137.0 44.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.57 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 58.0 m-85 -120.39 127.59 52.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD11 ' CG ' ' A' ' 76' ' ' PHE . 1.8 mm? -104.69 133.07 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -121.27 121.23 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.46 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 6.2 m-85 -115.4 104.14 53.61 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.02 140.86 25.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 5.2 pttt 37.72 41.44 0.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.491 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 9.1 t -98.59 120.72 39.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 108.28 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -87.01 14.75 6.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 tp -70.87 136.14 48.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.372 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.434 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.6 p -86.5 162.93 17.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.67 -29.05 65.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -66.12 -47.92 72.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.3 m120 -66.03 -44.22 85.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.29 -33.53 73.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -68.96 -42.7 76.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 74.6 m -69.53 -44.4 71.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.504 ' CB ' HD21 ' A' ' 78' ' ' LEU . 27.4 mt-30 -66.17 -47.59 73.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.0 mm -65.13 -45.71 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 51.2 m -63.4 -33.99 76.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.472 ' N ' HD21 ' A' ' 34' ' ' ASN . 1.4 m-80 -83.83 -10.24 58.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.33 117.44 16.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.496 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 1.2 mt-30 -79.51 161.51 25.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.515 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -148.4 153.64 40.72 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.602 1.189 . . . . 0.0 110.382 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.515 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.0 Cg_endo -75.11 -0.49 10.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.577 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.67 -107.29 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.577 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.3 t30 -171.94 134.8 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -90.86 127.21 36.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 65' ' ' GLU . 4.0 mp -103.41 -86.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.484 ' HB2' ' CA ' ' A' ' 116' ' ' PHE . 41.6 t80 -102.82 153.4 20.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.409 HD12 ' CZ3' ' A' ' 113' ' ' TRP . 88.9 mt -141.58 115.92 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' NZ ' HG22 ' A' ' 110' ' ' VAL . 1.3 tmtp? -118.52 128.59 54.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 26.5 mt -125.4 117.58 50.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.2 t -122.91 138.13 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 108.316 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.431 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -99.58 144.0 29.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 110.277 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -142.07 134.71 28.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -98.22 134.82 40.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -85.97 150.03 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.61 -7.09 35.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.78 0.81 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 2.94 89.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 19.6 pt-20 -96.53 131.17 28.83 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 125.77 9.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.791 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 4.8 t-80 -112.03 154.87 24.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -130.89 140.79 50.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.439 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.12 143.82 49.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 0.0 109.625 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mt -141.89 140.65 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.57 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.38 111.51 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.418 ' N ' HD23 ' A' ' 61' ' ' LEU . 2.8 mt -119.97 154.44 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.483 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -131.11 145.92 52.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.337 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.506 ' CD2' HG22 ' A' ' 39' ' ' THR . 89.5 m-85 -122.44 153.26 39.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.551 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -65.92 -33.27 75.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.08 158.24 18.6 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -59.46 110.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.569 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.9 t80 -88.67 134.1 34.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.424 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -96.18 114.13 25.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 8.3 t -111.27 69.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 108.275 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -92.56 29.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -158.99 125.55 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -88.57 35.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.444 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 6.5 mtm180 -117.01 -15.44 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.496 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.1 t80 -77.26 -25.85 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.409 ' CG ' HD11 ' A' ' 16' ' ' LEU . 29.8 m-85 -106.13 13.62 28.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.066 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.444 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 70.3 m-20 -65.91 107.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.504 HD21 ' CB ' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -105.72 136.77 44.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.452 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 3.7 m -121.53 164.75 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 25.2 t -85.26 118.43 70.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 p -112.33 -20.74 11.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' SER . 18.5 ttt-85 -133.51 144.23 49.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.235 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.21 56.84 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.59 141.71 50.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.452 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 26.1 m170 -108.7 147.84 31.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 19.2 m-85 -126.27 134.81 51.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.02 101.56 45.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.05 166.19 29.67 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.445 1.761 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.42 122.71 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.409 ' CG2' ' CD1' ' A' ' 14' ' ' TYR . 8.9 mt -86.83 129.14 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -135.32 132.71 38.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.67 123.96 8.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 13' ' ' ASN . . . -79.46 113.35 17.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -67.91 -8.91 40.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -104.67 176.53 5.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.467 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 30.4 p -128.33 -50.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -80.63 -30.5 36.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.026 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -45.69 -24.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 97' ' ' SER . 22.0 m -67.61 -41.95 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -60.7 -39.47 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.1 t -57.59 -46.16 84.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.52 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 11.0 t80 -71.13 -33.82 70.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.35 -26.87 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -81.75 -37.64 26.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.677 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 4.2 pttt -75.6 35.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 105' ' ' ASP . 7.4 p30 -83.02 179.19 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 158.17 94.81 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 4.9 m-20 79.16 55.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.435 HG22 ' NZ ' ' A' ' 45' ' ' LYS . 1.1 m -137.09 166.71 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.519 ' C ' ' CD2' ' A' ' 111' ' ' LEU . 2.8 tt -104.63 129.14 52.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.421 ' N ' HD22 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -109.99 143.28 40.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.469 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 22.2 t90 -141.3 154.53 45.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.469 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 56.26 179.86 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.08 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.456 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.0 m -125.55 126.7 45.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.484 ' CA ' ' HB2' ' A' ' 43' ' ' PHE . 5.3 t80 -79.84 150.68 30.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.0 OUTLIER -141.56 125.77 17.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.6 128.65 47.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -75.1 120.3 20.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.222 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 113.9 -110.79 2.49 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.478 1.111 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 106.41 90.22 2.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.85 123.68 29.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 0.8 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 12.8 t80 -77.12 102.26 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.9 111.01 10.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.957 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.463 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 40.7 mt -104.51 136.77 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -134.84 111.35 9.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' HA ' ' CE ' ' A' ' 67' ' ' LYS . . . -162.3 163.43 28.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' CE ' ' OD1' ' A' ' 13' ' ' ASN . 8.5 ttpt -84.97 -32.55 22.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' OD1' ' CE ' ' A' ' 12' ' ' LYS . 3.1 m-80 -114.61 141.92 47.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CE2' HG21 ' A' ' 9' ' ' ILE . 10.2 m-85 -133.3 142.02 48.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 22.9 m-85 -119.45 123.06 43.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 76' ' ' PHE . 1.1 mm? -104.47 132.67 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 m -120.69 118.02 29.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.447 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 10.1 m-85 -108.47 101.29 42.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.08 137.48 21.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER 39.38 46.33 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.6 t -103.09 120.48 40.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -86.84 14.49 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 15.5 tp -70.99 135.89 48.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.431 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 8.9 p -85.7 156.86 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 2.1 pptp? -64.54 -29.07 70.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -66.25 -47.85 72.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.4 m120 -66.36 -43.5 85.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.505 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.91 -35.08 76.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 33' ' ' THR . 0.9 OUTLIER -69.22 -41.64 76.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.386 179.921 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.432 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 14.7 t -68.86 -45.19 71.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.93 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.412 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 36.7 mt-30 -66.86 -47.38 72.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.416 ' CG2' HD12 ' A' ' 62' ' ' ILE . 12.4 mm -64.16 -45.39 96.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 45.1 m -64.03 -35.44 80.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' N ' HD21 ' A' ' 34' ' ' ASN . 1.6 m-80 -83.51 -9.97 58.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -74.48 118.67 17.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.612 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 16.8 mm-40 -80.32 164.38 23.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.466 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.5 OUTLIER -145.34 161.89 39.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.939 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HD2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 -25.72 11.65 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.65 -93.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.482 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.9 OUTLIER 178.26 146.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -90.27 121.07 31.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.85 -57.41 2.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 116' ' ' PHE . 56.2 t80 -137.84 157.93 45.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.4 mt -138.65 116.86 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -114.19 128.24 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 69.0 mt -128.81 115.74 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 30.8 t -128.06 139.41 52.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 108.251 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -97.02 144.28 27.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.422 ' HB3' ' ND1' ' A' ' 57' ' ' HIS . 25.7 tt0 -143.76 133.82 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -98.44 134.56 41.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.477 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 22.3 m170 -85.68 156.14 20.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -77.29 -6.54 53.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.03 -6.24 59.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.49 0.31 70.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.477 ' HG3' ' HB2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -96.37 135.32 22.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.344 179.906 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.66 8.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 4.1 t-80 -109.9 155.47 21.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -132.27 138.12 47.75 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.425 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -117.14 142.67 46.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.641 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.459 HD13 ' CE1' ' A' ' 18' ' ' TYR . 22.8 mt -142.27 136.38 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.613 1.196 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.4 tm? -138.15 110.09 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.431 ' N ' HD21 ' A' ' 61' ' ' LEU . 3.3 mt -117.45 150.9 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.02 116.96 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 44.0 m-85 -90.87 157.42 17.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -33.49 72.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 161.98 22.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' CE ' ' HA ' ' A' ' 11' ' ' ALA . 22.5 mtpt -58.64 110.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 38' ' ' PRO . 2.9 t80 -87.4 139.19 30.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.89 119.19 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -115.26 67.37 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.33 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.4 t -94.19 29.99 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -163.99 117.71 1.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 109.189 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.462 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.8 OUTLIER -86.28 41.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.409 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -115.09 -19.03 11.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.612 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 13.0 t80 -76.59 -39.16 53.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.412 ' CD2' HD11 ' A' ' 16' ' ' LEU . 14.4 m-85 -88.31 12.12 14.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.938 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.409 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 71.0 m-20 -67.13 106.83 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.24 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.505 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -105.61 136.36 45.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.504 HG13 ' CG ' ' A' ' 86' ' ' HIS . 2.6 m -124.04 163.8 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.9 t -86.17 119.44 71.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -6.83 18.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.56 -19.66 13.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.7 OUTLIER -133.06 142.17 48.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -76.38 56.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.13 140.07 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.504 ' CG ' HG13 ' A' ' 79' ' ' VAL . 19.2 m170 -107.7 147.75 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.624 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 17.2 m-85 -126.43 131.59 51.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.75 103.56 47.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.642 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.92 158.04 42.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -87.53 121.34 29.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 76.3 mt -85.16 127.72 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.18 132.6 38.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.74 114.45 4.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.37 113.5 22.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -152.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.546 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.6 OUTLIER -88.5 143.0 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 110.016 179.928 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.4 p 155.13 139.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' LYS . 3.6 p -80.13 -6.98 58.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -44.98 -25.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.534 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 17.3 m -67.64 -44.47 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -58.93 -43.22 91.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.3 m -57.67 -46.9 83.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 25.9 t80 -68.06 -34.32 76.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.55 HD13 ' CE2' ' A' ' 116' ' ' PHE . 62.8 mt -65.21 -40.06 87.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.04 -25.82 65.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -75.02 69.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.9 168.6 16.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.238 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 146.91 97.17 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 17.3 m-20 62.66 33.91 15.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.13 166.66 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.224 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 112' ' ' GLU . 5.0 tt -104.81 145.46 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.43 ' N ' HD22 ' A' ' 111' ' ' LEU . 1.9 tm-20 -130.91 122.6 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.619 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 20.5 t90 -132.47 154.2 50.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.602 1.189 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.619 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 63.4 -178.51 6.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.0 m -123.18 120.46 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 0.808 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 14.7 t80 -79.85 148.04 31.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.2 OUTLIER -146.55 126.76 13.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.38 123.92 39.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.79 156.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.12 155.95 7.53 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.568 1.167 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.83 161.71 26.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.32 157.83 32.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 21.0 t80 -74.04 102.73 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.58 112.83 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.0 mt -108.05 134.35 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.239 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 109.68 8.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.46 163.89 27.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -87.53 -22.67 24.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.376 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.434 ' HB2' ' CB ' ' A' ' 94' ' ' ALA . 3.2 m-80 -115.61 135.97 53.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.6 m-85 -133.55 134.77 43.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.543 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 46.8 m-85 -120.25 127.07 52.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 76' ' ' PHE . 1.5 mm? -104.74 133.98 48.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 m -120.04 125.48 48.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.368 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.566 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 3.8 m-85 -117.8 101.56 51.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.0 139.77 24.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER 38.11 42.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.517 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 10.0 t -98.63 122.74 42.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -86.6 12.34 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 tp -71.11 134.71 47.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.444 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.6 p -86.72 162.09 18.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -69.74 -29.17 66.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -47.4 73.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.444 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 3.0 m120 -67.0 -43.78 82.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' O ' HG12 ' A' ' 32' ' ' ILE . . . -68.66 -35.85 77.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.376 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.5 tm? -68.09 -42.27 80.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.0 m -71.18 -38.88 72.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.474 ' CB ' HD23 ' A' ' 78' ' ' LEU . 20.4 mt-30 -70.63 -36.28 73.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 28' ' ' ALA . 5.6 mm -63.75 -36.16 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.34 -41.68 93.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 110.455 179.938 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -73.69 -11.78 60.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -74.45 114.69 13.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.638 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 6.9 mt-30 -84.89 162.96 19.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.453 ' OG1' HG21 ' A' ' 39' ' ' THR . 0.2 OUTLIER -146.24 158.11 48.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -75.0 -26.1 11.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.778 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -93.09 -102.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.376 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.563 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.7 OUTLIER -173.38 138.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.49 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 8.8 mtpp -83.96 152.77 24.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.453 ' CD1' ' OD1' ' A' ' 40' ' ' ASN . 3.0 mp -132.11 -87.58 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.555 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 42.2 t80 -102.77 152.84 20.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.067 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.494 HD12 ' CZ3' ' A' ' 113' ' ' TRP . 25.2 mt -138.0 115.59 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.4 OUTLIER -119.64 121.27 38.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 78.7 mt -117.41 114.17 44.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.4 t -113.83 138.76 49.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 108.336 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -98.14 142.71 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -147.95 133.27 18.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -98.66 134.94 40.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.567 ' CD2' ' CB ' ' A' ' 57' ' ' HIS . 34.8 m170 -80.86 148.99 29.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.44 -6.87 38.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -83.92 1.86 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.42 2.24 89.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 12.6 pt-20 -96.6 136.04 22.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 124.08 8.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.567 ' CB ' ' CD2' ' A' ' 51' ' ' HIS . 5.3 t-80 -112.27 154.59 25.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.655 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.456 ' H ' ' CD2' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -131.38 141.2 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.445 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -120.11 144.45 47.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.64 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 61' ' ' LEU . 13.4 mt -140.85 138.16 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.543 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -138.46 111.6 7.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.3 mt -122.36 151.72 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.538 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -132.26 145.56 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 59.0 m-85 -119.86 156.62 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -33.69 73.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.73 160.33 21.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -59.08 118.08 5.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.282 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.557 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 3.8 t80 -93.88 140.8 29.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.434 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -101.33 111.7 24.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.1 t -107.28 69.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.4 t -94.88 31.1 1.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -164.5 116.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.417 ' CG ' HD11 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -82.21 46.14 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.407 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.2 mmp_? -119.15 -18.78 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.638 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.7 t80 -77.06 -37.47 54.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.564 ' CD2' HD12 ' A' ' 16' ' ' LEU . 26.2 m-85 -90.66 12.66 18.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.407 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 67.0 m-20 -67.08 106.51 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.474 HD23 ' CB ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -108.94 136.69 48.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 3.1 m -121.58 164.13 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 6.6 t -85.82 118.41 70.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.82 13.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 111.046 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.2 p -112.81 -20.66 11.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 17.6 ttt85 -133.71 143.64 48.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.242 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 56.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.63 138.02 49.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 28.4 m170 -102.67 147.82 26.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.9 m-85 -126.32 128.35 46.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.97 101.41 44.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.618 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.566 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.6 Cg_endo -74.95 164.79 32.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -96.4 125.09 40.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.417 HD11 ' CG ' ' A' ' 73' ' ' GLN . 13.1 mt -85.39 129.2 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.11 133.03 38.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.53 125.01 8.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 13' ' ' ASN . . . -76.99 114.38 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -12.42 28.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.7 161.37 21.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.946 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.468 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 90.2 p -103.77 -30.13 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.954 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.9 m -80.72 -29.49 36.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -45.99 -24.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 97' ' ' SER . 23.0 m -67.95 -41.58 84.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -60.02 -40.48 89.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.82 -47.15 83.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.585 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 19.7 t80 -71.61 -33.83 69.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.13 -34.79 61.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -25.04 65.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 69.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.22 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.07 -175.05 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 120.31 96.3 1.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 51.71 67.72 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.496 HG21 ' CE ' ' A' ' 45' ' ' LYS . 14.4 m -141.07 164.41 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.5 tt -105.36 147.23 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.4 mp0 -133.07 123.35 25.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.598 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 9.5 t90 -135.29 154.74 51.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 107.997 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.598 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.06 173.83 5.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 111.084 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.469 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -124.16 121.49 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 0.731 . . . . 0.0 110.391 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.555 ' HB2' ' CG ' ' A' ' 43' ' ' PHE . 4.4 t80 -79.95 148.65 31.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.0 OUTLIER -142.08 103.98 4.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.958 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.403 HG13 ' CE1' ' A' ' 116' ' ' PHE . 19.2 mt -81.35 146.28 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -82.19 128.87 34.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 157.65 150.33 5.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.317 179.988 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.73 -173.21 24.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.429 1.081 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -131.62 145.8 51.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 0.724 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.588 ' CE1' HD11 ' A' ' 9' ' ' ILE . 17.0 t80 -78.19 101.74 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.408 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.1 OUTLIER -133.56 118.32 18.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.995 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.588 HD11 ' CE1' ' A' ' 7' ' ' PHE . 39.6 mt -110.93 135.09 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.61 111.16 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.2 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.38 163.32 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -87.5 -25.67 23.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 8.4 m-80 -118.71 138.55 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 10.0 m-85 -132.81 141.86 48.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.618 ' CZ ' ' CD2' ' A' ' 61' ' ' LEU . 25.7 m-85 -120.4 123.57 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 76' ' ' PHE . 1.6 mm? -106.0 132.19 52.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -120.64 121.49 38.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.58 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 9.5 m-85 -109.01 101.75 45.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.06 135.59 19.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.4 tttt 39.47 53.61 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.7 t -112.45 123.38 50.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 108.317 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.62 13.38 8.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.21 134.91 47.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.413 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.3 p -86.56 162.51 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -69.81 -28.19 65.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.357 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -47.64 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 4.3 m120 -67.57 -43.83 79.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.426 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.75 -35.87 79.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 33' ' ' THR . 1.3 tm? -69.34 -41.5 76.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -44.67 75.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.496 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 32.2 mt-30 -68.47 -48.12 65.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 HG21 ' CD1' ' A' ' 62' ' ' ILE . 3.4 mm -62.69 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.504 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 52.2 m -62.88 -38.77 92.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -81.87 -7.06 59.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.61 118.28 17.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.58 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.76 161.88 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.535 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.9 OUTLIER -148.16 153.59 41.51 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 -2.85 13.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.527 1.804 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.569 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -115.26 -105.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.467 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.569 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -170.6 136.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -90.39 119.23 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.381 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.405 HD21 ' CG ' ' A' ' 117' ' ' GLN . 1.8 tp -96.61 -82.92 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.459 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 53.7 t80 -103.02 153.11 20.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.7 mt -143.61 116.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.48 ' HE2' ' CG2' ' A' ' 110' ' ' VAL . 0.0 OUTLIER -119.18 126.21 51.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 34.1 mt -128.81 114.47 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 40.1 t -125.77 138.45 53.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 108.345 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttp-105 -103.19 141.63 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -149.06 133.71 17.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 mp -98.65 135.18 40.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -81.6 157.72 24.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.544 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.41 -5.45 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -81.16 -1.32 44.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.371 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.42 90.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.03 133.67 24.9 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.531 0.783 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.27 7.76 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.426 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 4.2 t-80 -115.85 155.3 28.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -132.36 135.34 46.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.426 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -113.32 143.06 45.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.58 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.4 mt -142.49 137.07 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.618 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 1.8 tm? -138.68 109.78 6.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.463 ' CD1' HG21 ' A' ' 32' ' ' ILE . 5.2 mt -120.05 148.46 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.459 ' CG ' ' HB3' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -137.21 116.82 12.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -90.4 155.96 18.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -33.4 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.42 158.07 16.21 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -59.34 112.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.416 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 3.7 t80 -88.3 139.26 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.47 109.58 21.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -106.75 69.86 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.353 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.408 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.8 t -96.26 31.57 2.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -162.55 126.96 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.243 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 3.4 pt20 -88.16 36.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.455 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -116.18 -14.0 11.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.308 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.58 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.4 t80 -77.31 -40.38 44.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CD2' HD13 ' A' ' 16' ' ' LEU . 27.9 m-85 -90.18 14.05 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.934 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.455 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 66.0 m-20 -65.84 106.23 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -109.03 136.56 48.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.564 HG13 ' CD2' ' A' ' 86' ' ' HIS . 2.9 m -123.47 163.93 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 6.0 t -85.9 119.37 71.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -4.4 15.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.426 1.75 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.06 -20.3 12.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.2 ttm180 -133.41 143.7 49.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.25 54.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.01 134.69 48.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 79' ' ' VAL . 27.3 m170 -102.01 146.76 27.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.661 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.5 m-85 -126.43 132.34 51.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.67 101.11 50.38 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 109.596 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.58 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 161.95 37.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.39 123.62 32.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 9.7 mt -87.19 129.14 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -135.24 132.72 38.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.87 113.39 4.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.44 113.64 22.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -65.42 -138.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.554 ' O ' ' CB ' ' A' ' 97' ' ' SER . 15.4 t -97.2 142.7 28.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.956 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.1 t 154.47 139.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.2 m -80.19 -5.89 56.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -44.46 -26.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.497 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 19.4 m -67.52 -43.06 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -57.54 -46.17 84.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.5 m -58.34 -41.75 85.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.503 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 9.1 t80 -70.17 -35.7 74.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 104' ' ' ILE . 70.4 mt -66.32 -25.53 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -78.71 -29.71 45.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.574 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -72.31 58.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -82.72 -179.91 7.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 140.17 99.42 0.41 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 8.8 m-20 63.37 33.89 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.48 ' CG2' ' HE2' ' A' ' 45' ' ' LYS . 2.6 m -117.3 167.94 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.47 ' HB2' ' CE ' ' A' ' 25' ' ' LYS . 5.0 tt -104.29 136.17 44.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.211 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.438 ' N ' HD23 ' A' ' 111' ' ' LEU . 13.7 tt0 -121.43 133.58 55.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.677 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.0 t90 -141.47 153.67 45.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.677 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 57.11 -179.42 0.72 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -124.02 131.59 53.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 110.406 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.497 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 32.2 t80 -79.82 150.92 30.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 115' ' ' THR . 58.8 mm-40 -104.78 115.46 30.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.9 124.16 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.85 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 154.6 -80.79 0.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -127.44 -115.84 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -131.98 154.92 48.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 11.2 t80 -79.0 103.1 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.92 109.82 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.4 mt -102.51 133.51 46.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.69 110.47 9.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.32 163.64 27.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -23.89 23.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -114.56 136.2 53.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -133.17 133.49 42.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 35.3 m-85 -119.6 126.19 50.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.556 HD11 ' CD2' ' A' ' 76' ' ' PHE . 1.7 mm? -104.72 131.6 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -119.54 131.42 55.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 2.1 m-85 -123.35 103.51 35.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.91 134.61 18.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 39.63 58.19 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -112.02 124.66 52.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.143 . . . . 0.0 108.354 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -86.18 10.48 14.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 tp -71.21 134.47 46.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.455 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 7.0 p -86.89 161.97 17.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.365 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.34 -28.83 66.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.18 -47.62 73.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 2.9 m120 -68.29 -44.07 76.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 32' ' ' ILE . . . -67.42 -35.95 80.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.3 tm? -67.91 -47.69 68.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -44.05 91.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' CB ' HD23 ' A' ' 78' ' ' LEU . 51.5 mt-30 -65.09 -36.25 83.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 28' ' ' ALA . 6.1 mm -65.43 -33.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.507 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.77 -41.06 92.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.439 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -74.32 -12.37 60.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -73.49 115.14 12.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.63 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -87.08 161.95 17.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.457 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -147.54 155.87 45.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.02 -6.26 17.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.549 1.815 . . . . 0.0 110.95 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.613 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -111.93 -107.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.613 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t30 -170.69 143.92 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -91.09 118.36 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.25 -63.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 61.5 t80 -137.23 161.14 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.56 HD12 ' CE3' ' A' ' 113' ' ' TRP . 39.1 mt -136.31 135.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -128.41 108.07 10.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 50.2 mt -114.49 115.02 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 m -124.97 138.83 54.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -96.93 144.17 27.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 57' ' ' HIS . 25.0 tp10 -145.91 139.38 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 50' ' ' LEU . 7.5 mp -125.22 135.85 52.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -91.34 158.11 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.96 -4.89 18.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -80.09 -2.32 43.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.66 6.7 89.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 6.5 pt-20 -95.93 122.8 57.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.84 8.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 7.1 t-80 -116.18 153.66 31.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' H ' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -132.59 140.38 48.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.441 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -124.25 137.3 54.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -135.23 139.85 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.083 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -138.48 111.02 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.5 mt -117.33 146.62 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.572 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -131.57 119.17 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.353 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -93.76 156.82 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.97 -33.68 74.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.08 163.15 21.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.159 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -59.43 119.33 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.55 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 5.0 t80 -97.48 142.47 29.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.422 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -102.78 115.72 31.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 12.7 t -111.98 69.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 108.328 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 71' ' ' THR . 0.7 OUTLIER -93.18 29.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -164.6 115.92 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.47 ' CB ' HD13 ' A' ' 91' ' ' ILE . 2.8 mt-30 -82.03 48.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.98 -18.48 8.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.4 t80 -76.88 -38.75 53.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.556 ' CD2' HD11 ' A' ' 16' ' ' LEU . 22.0 m-85 -88.77 13.17 13.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -66.66 109.2 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -110.15 137.76 47.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 m -122.91 164.22 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 8.1 t -85.55 118.4 70.6 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -1.91 11.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.434 1.755 . . . . 0.0 111.017 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.1 p -114.25 -20.67 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.1 OUTLIER -133.63 144.41 49.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.3 t -77.07 55.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.067 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.35 136.62 50.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -102.09 147.59 26.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.638 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.0 m-85 -126.31 131.52 51.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.76 101.51 44.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.0 157.82 42.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.394 1.734 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -87.5 126.56 34.98 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.47 HD13 ' CB ' ' A' ' 73' ' ' GLN . 5.7 mt -94.71 120.19 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -135.58 132.46 37.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.71 128.14 9.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.99 113.88 15.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -7.79 43.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -101.28 176.02 5.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.435 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 13.6 p -127.46 -55.96 1.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -80.36 -28.96 37.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.433 ' CB ' ' HB3' ' A' ' 96' ' ' SER . 35.4 t0 -45.99 -24.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 97' ' ' SER . 22.0 m -67.75 -41.21 85.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.244 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.5 OUTLIER -60.52 -39.68 88.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -46.68 84.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 103' ' ' TYR . 1.3 t80 -70.77 -32.96 70.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.8 mt -60.61 -29.32 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.569 1.168 . . . . 0.0 109.349 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.15 -25.11 62.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -74.01 67.94 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -83.06 -175.79 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.43 69.53 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 72.6 74.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.85 164.98 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.5 tt -105.08 138.95 40.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 43' ' ' PHE . 15.6 tt0 -122.62 132.79 54.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.56 ' CE3' HD12 ' A' ' 44' ' ' ILE . 30.5 t90 -139.57 149.47 43.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.429 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 68.4 -179.13 21.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.402 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.1 m -123.3 116.45 23.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 0.707 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 63' ' ' GLN . 4.6 t80 -79.61 149.76 31.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.2 OUTLIER -146.99 130.39 16.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.09 . . . . 0.0 110.326 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.3 mm -79.38 135.96 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.392 1.058 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -72.65 -55.02 7.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -83.59 -163.15 34.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.442 0.73 . . . . 0.0 110.306 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 98.2 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -144.76 -125.35 1.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -131.6 142.21 49.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 0.718 . . . . 0.0 110.219 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.9 t80 -79.01 102.4 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -132.6 114.42 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.508 HG22 ' CE2' ' A' ' 14' ' ' TYR . 29.3 mt -103.89 134.16 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 111.84 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.42 27.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -82.82 -35.62 26.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -113.04 138.98 49.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.508 ' CE2' HG22 ' A' ' 9' ' ' ILE . 7.9 m-85 -130.33 142.18 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.587 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 6.7 m-85 -120.51 126.92 51.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.581 ' CB ' ' HH ' ' A' ' 18' ' ' TYR . 2.0 mm? -103.52 130.61 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 m -118.77 117.22 28.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.581 ' HH ' ' CB ' ' A' ' 16' ' ' LEU . 6.8 m-85 -110.2 99.18 38.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.9 144.59 30.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 7.9 mttt 39.06 35.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.1 t -100.72 117.02 33.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 108.39 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -87.25 15.22 6.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 tp -67.29 138.42 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.425 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 8.3 p -86.51 162.99 17.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.65 -28.4 64.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -66.45 -47.61 72.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.931 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 2.4 m120 -67.23 -43.98 80.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.87 -33.88 74.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.538 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.3 tm? -69.11 -44.36 72.59 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 37.4 t -67.87 -45.56 74.18 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.525 1.141 . . . . 0.0 109.955 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 33.5 mt-30 -65.26 -47.63 76.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.9 mm -65.12 -46.14 92.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 55.2 m -62.42 -36.27 81.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.385 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 30' ' ' SER . 22.5 m120 -80.15 -12.71 59.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.191 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.26 115.91 14.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.517 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.24 161.87 27.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.933 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.5 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 1.3 t -148.06 152.14 39.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.07 -1.46 11.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -111.63 -107.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.391 1.057 . . . . 0.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.561 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.4 OUTLIER -171.62 129.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 8.1 mtpp -87.86 119.57 28.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.518 ' CD1' ' N ' ' A' ' 65' ' ' GLU . 5.8 mp -94.47 -88.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 112' ' ' GLU . 44.0 t80 -103.09 155.88 18.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 112' ' ' GLU . 80.2 mt -142.12 115.33 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -115.9 128.61 55.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 39.2 mt -126.92 116.18 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.79 139.8 53.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 57' ' ' HIS . 12.9 ttp180 -96.78 140.56 31.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 57' ' ' HIS . 22.1 tt0 -131.2 132.03 44.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -100.03 135.84 40.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.435 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 24.5 m170 -88.43 155.97 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.632 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -6.77 51.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -87.54 -1.36 57.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.2 6.16 81.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 12.4 pt-20 -96.3 131.26 28.94 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.53 31.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.462 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 4.6 t-80 -139.24 146.78 40.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.534 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -124.57 143.49 50.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.462 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -123.49 148.28 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.677 179.916 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 16' ' ' LEU . 4.4 mt -141.24 142.51 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.587 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -139.24 111.79 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.3 mt -115.47 154.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.574 ' OE1' ' CE1' ' A' ' 116' ' ' PHE . 3.3 tt0 -130.72 116.05 17.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.499 ' CD1' HG21 ' A' ' 39' ' ' THR . 72.9 m-85 -93.06 149.84 20.94 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.465 1.103 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.518 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.88 -34.56 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.92 168.7 22.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -58.65 106.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.465 ' CD2' ' CE2' ' A' ' 64' ' ' PHE . 12.9 t80 -87.23 138.94 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.536 HD21 ' N ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -97.17 127.76 43.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.536 ' N ' HD21 ' A' ' 69' ' ' ASN . 6.4 t -126.03 68.66 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.3 t -93.66 29.02 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -153.98 125.42 7.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.475 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 2.2 pt20 -89.26 31.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.457 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 9.0 mtm180 -118.67 -11.87 9.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.2 t80 -77.88 -21.65 50.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.423 ' CG ' HD11 ' A' ' 16' ' ' LEU . 30.2 m-85 -113.12 13.9 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.457 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.7 m-20 -66.15 105.07 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.504 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -104.05 136.76 43.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.459 HG11 ' CG ' ' A' ' 86' ' ' HIS . 4.0 m -120.69 163.7 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.4 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.9 t -85.93 119.16 71.64 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -2.76 12.95 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.3 p -112.29 -20.78 11.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.8 143.6 48.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -76.15 56.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.64 141.35 50.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.179 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.459 ' CG ' HG11 ' A' ' 79' ' ' VAL . 28.4 m170 -108.52 148.27 30.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.54 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 18.1 m-85 -126.19 133.27 51.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.86 101.04 42.52 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.587 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 165.87 30.36 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.55 125.41 40.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 73' ' ' GLN . 11.1 mt -93.7 122.02 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.4 133.3 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.247 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.08 119.82 5.55 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.2 113.38 22.19 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.65 -151.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.542 ' O ' ' CB ' ' A' ' 97' ' ' SER . 2.6 t -87.87 142.99 27.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.064 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 156.47 140.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.4 m -80.21 -6.52 57.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -45.03 -26.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.547 HG23 ' CZ ' ' A' ' 116' ' ' PHE . 17.5 m -68.1 -42.86 85.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -63.46 -40.61 97.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -49.76 75.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.62 -34.28 77.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 54.0 mt -63.89 -41.35 92.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.397 1.061 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.76 -29.04 68.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.13 74.93 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -82.39 178.11 8.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.447 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 133.03 98.18 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 58.6 m-20 63.45 36.09 11.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.551 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -120.62 167.04 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.551 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 1.1 tt -128.7 115.74 18.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -106.49 144.72 32.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.561 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.8 t90 -137.8 146.25 43.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.561 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 68.91 -167.15 46.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.15 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.5 m -126.37 128.58 47.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CE1' ' OE1' ' A' ' 63' ' ' GLN . 43.5 t80 -79.81 151.42 30.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -104.74 150.19 24.97 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 21.2 mm -97.02 133.39 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.26 -53.91 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -101.77 -150.95 23.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.7 t80 -74.03 103.05 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.06 109.69 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 7' ' ' PHE . 56.9 mt -107.45 135.97 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.516 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -134.46 110.86 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.68 27.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -23.01 24.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.957 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.9 m-80 -114.88 135.79 53.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.8 m-85 -133.57 135.57 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 49.5 m-85 -120.37 126.91 51.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.467 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.8 mm? -105.24 135.09 47.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.619 HG23 ' NE2' ' A' ' 57' ' ' HIS . 10.3 m -123.44 123.42 40.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.65 ' OH ' HD12 ' A' ' 60' ' ' ILE . 4.0 m-85 -117.02 102.33 52.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.04 139.98 24.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER 39.21 48.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.9 t -106.49 119.6 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 108.313 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.61 13.97 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.461 HD21 HD22 ' A' ' 78' ' ' LEU . 21.1 tp -70.97 135.42 47.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.634 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.1 p -84.57 162.97 19.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.17 -28.9 65.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.12 -48.08 72.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.634 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.6 m120 -65.68 -44.06 87.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.97 -33.57 73.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.59 ' HB2' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -69.08 -43.3 74.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 51.1 m -68.24 -45.83 72.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.643 ' O ' HD13 ' A' ' 35' ' ' LEU . 34.2 mt-30 -65.77 -46.85 77.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 7.8 mm -64.81 -45.47 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.563 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.8 m -63.66 -36.27 83.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.1 m120 -82.33 -10.25 59.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.45 118.74 17.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.629 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.1 pt20 -79.22 162.67 25.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.488 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.11 158.08 45.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.02 -7.12 18.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.595 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.2 -107.26 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.42 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.595 ' N ' ' OG1' ' A' ' 39' ' ' THR . 16.7 t-20 -168.52 139.84 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HG3' HG21 ' A' ' 37' ' ' THR . 8.2 mtpp -91.06 121.82 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.95 -86.0 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -103.15 155.28 18.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.779 HD12 ' CE3' ' A' ' 113' ' ' TRP . 95.9 mt -140.78 123.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -122.89 117.25 25.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.59 HD12 ' HB2' ' A' ' 29' ' ' LEU . 57.1 mt -119.81 116.42 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 t -128.35 138.68 52.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 108.321 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.654 ' HA ' HD22 ' A' ' 58' ' ' LEU . 9.1 ttm180 -96.95 143.16 28.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 57' ' ' HIS . 32.8 tt0 -146.26 132.27 19.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 10.2 mp -98.99 135.63 40.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.492 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 63.0 m170 -80.8 156.28 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -6.99 31.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.14 -1.48 53.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.99 5.17 86.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -96.1 132.53 26.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 0.762 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.03 122.91 7.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.619 ' NE2' HG23 ' A' ' 17' ' ' THR . 4.2 t-80 -115.75 154.42 29.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.94 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.4 tm? -127.77 142.43 51.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.94 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -120.75 141.08 50.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.616 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.65 HD12 ' OH ' ' A' ' 18' ' ' TYR . 40.9 mt -139.75 138.54 38.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.42 111.06 7.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.44 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.1 mt -118.51 151.0 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.707 ' NE2' ' CG ' ' A' ' 116' ' ' PHE . 1.2 pp0? -135.79 116.69 14.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 47.7 m-85 -91.01 156.56 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -33.65 74.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.56 159.11 20.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -58.64 117.8 4.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.562 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.3 t80 -96.03 140.62 30.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.516 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 4.5 t-20 -98.09 107.64 20.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.712 ' SG ' HG21 ' A' ' 91' ' ' ILE . 39.2 t -100.62 67.04 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.411 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.4 t -95.7 30.72 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.468 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -160.97 119.3 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -89.48 38.08 0.89 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.427 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.5 mtt-85 -115.7 -17.65 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.629 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.7 t80 -76.99 -39.84 48.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.421 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 34.2 m-85 -87.98 12.44 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.427 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.2 m-20 -67.2 108.42 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -106.02 136.71 45.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.537 HG12 ' CG ' ' A' ' 86' ' ' HIS . 5.8 m -123.59 164.19 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' ARG . 29.3 t -85.52 118.59 70.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -3.2 13.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.1 p -113.2 -20.77 11.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 47.5 ttt180 -133.6 144.33 49.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.1 t -76.34 57.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.53 136.16 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.537 ' CG ' HG12 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -107.4 147.86 29.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -126.09 135.92 52.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.32 100.38 40.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 156.11 42.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -95.68 120.03 35.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.712 HG21 ' SG ' ' A' ' 70' ' ' CYS . 1.1 mt -84.94 133.51 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -135.15 133.29 39.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.76 122.98 7.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.957 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.594 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 22.0 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -38.74 88.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.7 m -57.5 -47.14 82.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -71.34 -33.63 69.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 27.7 mt -59.61 -33.37 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.65 -30.2 70.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -74.87 73.37 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.02 -176.82 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.91 96.81 0.54 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.81 70.1 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.483 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -140.84 164.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 5.8 tt -104.87 125.21 50.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.402 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.6 OUTLIER -106.85 124.22 49.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.779 ' CE3' HD12 ' A' ' 44' ' ' ILE . 10.7 t90 -138.48 142.9 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.55 175.19 17.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.63 124.43 42.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.707 ' CG ' ' NE2' ' A' ' 63' ' ' GLN . 5.6 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 9.7 t80 -78.69 102.36 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.88 109.83 9.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 109.947 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.1 mt -101.49 133.81 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -135.12 111.15 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.39 28.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -85.35 -27.08 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.718 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 25.9 m-80 -117.46 143.99 45.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.7 m-85 -132.99 141.71 48.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 24.9 m-85 -120.36 122.56 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.49 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.5 mm? -104.17 129.39 51.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -120.08 122.59 41.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.944 ' OH ' HD12 ' A' ' 60' ' ' ILE . 2.8 m-85 -114.83 103.45 54.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.0 137.3 21.53 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.449 1.763 . . . . 0.0 111.02 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 38.45 42.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 9.1 t -96.62 120.95 37.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.63 13.19 9.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 15.2 tp -71.05 135.07 47.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.506 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.0 p -84.24 161.5 20.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.43 -28.81 66.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -47.63 74.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.506 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.4 m120 -67.09 -43.41 82.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.376 1.047 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.42 -35.78 78.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.614 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.1 tm? -69.27 -41.45 76.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.42 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -68.35 -45.6 72.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.059 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.589 ' O ' HD13 ' A' ' 35' ' ' LEU . 36.6 mt-30 -67.33 -47.94 69.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.565 HG21 HD11 ' A' ' 62' ' ' ILE . 8.5 mm -62.8 -45.58 98.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.614 ' OG1' HD22 ' A' ' 29' ' ' LEU . 53.4 m -64.69 -38.96 92.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.1 m120 -80.45 -9.84 59.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.372 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.589 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -73.78 118.1 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.615 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.96 162.89 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.711 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -147.23 160.31 39.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.98 -25.66 11.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.672 HG21 ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -96.73 -100.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.387 1.055 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.629 ' H ' HG23 ' A' ' 39' ' ' THR . 9.7 t-20 -174.38 140.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.711 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.5 mtpp -91.17 122.52 33.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -97.19 -85.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 49.3 t80 -103.27 157.3 17.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.619 HD12 ' CE3' ' A' ' 113' ' ' TRP . 95.3 mt -142.39 116.32 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -112.45 127.85 56.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 89.0 mt -128.53 115.58 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.5 t -128.75 138.49 52.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 108.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -99.68 143.31 30.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 8.5 tp10 -145.67 134.77 22.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.7 mm? -98.2 134.48 41.18 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.478 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 39.8 m170 -83.25 153.15 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.567 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.06 -6.87 48.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.403 1.064 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -83.64 1.53 41.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 1.02 89.56 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 18.4 pt-20 -96.68 136.32 21.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 110.345 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.773 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.98 125.93 9.65 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.507 1.793 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.478 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 6.0 t-80 -111.48 155.16 23.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -133.98 137.87 45.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.845 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -121.01 140.81 51.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.645 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.944 HD12 ' OH ' ' A' ' 18' ' ' TYR . 40.0 mt -142.42 139.31 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.3 110.56 7.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.565 HD11 HG21 ' A' ' 32' ' ' ILE . 7.5 mt -117.68 149.03 20.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.55 ' NE2' ' HA ' ' A' ' 116' ' ' PHE . 1.2 pp0? -135.86 118.26 15.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.271 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -90.77 157.78 17.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.516 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -59.75 -33.6 71.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.39 1.056 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.85 160.76 22.42 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -59.01 110.91 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.777 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.672 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.0 t80 -88.55 141.56 28.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.452 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 4.9 t-20 -99.65 117.95 35.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.535 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.2 t -116.23 69.84 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.1 t -92.71 29.79 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -163.4 120.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.589 ' HA ' HD11 ' A' ' 91' ' ' ILE . 1.1 mt-30 -86.85 43.9 1.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 3.8 mtt180 -116.39 -17.97 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.615 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.97 -40.09 48.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.3 m-85 -87.85 12.92 11.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.429 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.2 m-20 -66.84 105.69 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.569 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -104.44 136.73 43.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 m -124.3 164.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.2 t -84.92 118.83 71.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.821 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.6 p -112.23 -21.12 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.88 144.8 49.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.248 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -76.55 56.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.09 134.3 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.81 145.61 30.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -126.39 134.87 50.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.18 101.64 48.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.549 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.06 159.38 41.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.39 123.88 32.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.589 HD11 ' HA ' ' A' ' 73' ' ' GLN . 19.9 mt -91.15 126.6 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.3 mm-40 -135.39 132.99 38.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.54 114.18 4.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.544 1.153 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.718 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.543 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 18.5 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -39.58 90.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -48.79 78.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.19 -34.6 77.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.456 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 29.5 mt -66.37 -39.48 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.64 -25.41 64.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -74.74 68.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.92 177.8 8.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.76 95.58 0.42 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 61.06 34.32 19.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 0.815 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.31 165.66 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 112' ' ' GLU . 10.3 tt -105.1 146.62 28.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.466 ' N ' HD23 ' A' ' 111' ' ' LEU . 11.5 tt0 -128.48 127.8 43.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.651 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.5 t90 -140.16 153.42 46.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.651 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.56 177.07 10.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.53 118.74 28.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 0.714 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.55 ' HA ' ' NE2' ' A' ' 63' ' ' GLN . 5.0 t80 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 26.3 t80 -74.08 102.3 4.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.403 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -132.99 115.74 15.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.8 mt -109.26 134.83 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.08 112.48 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.09 163.56 28.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.89 -32.42 25.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.83 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.7 m-80 -114.16 144.8 42.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 7.0 m-85 -133.65 140.86 47.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 111.075 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.626 ' CD2' ' HB2' ' A' ' 94' ' ' ALA . 18.8 m-85 -120.73 122.4 40.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.5 mm? -104.97 139.96 38.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.644 HG23 ' NE2' ' A' ' 57' ' ' HIS . 14.1 m -127.62 119.06 25.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.714 ' OH ' HD12 ' A' ' 60' ' ' ILE . 16.4 m-85 -107.76 101.09 38.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.0 135.57 19.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 39.17 50.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.345 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.2 t -108.15 123.26 48.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.362 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.73 13.83 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 23' ' ' LEU . 15.0 tp -71.11 134.58 47.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.594 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.2 p -85.49 162.57 18.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 110.45 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.31 -29.19 65.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.5 -47.88 74.49 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 110.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.594 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -66.5 -44.51 82.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.489 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.47 -34.6 77.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD13 ' C ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -69.38 -41.84 75.98 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -45.07 71.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 110.045 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.531 ' NE2' HD23 ' A' ' 78' ' ' LEU . 7.2 mt-30 -67.69 -47.96 67.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.489 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 4.3 mm -62.74 -46.37 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.528 ' OG1' HD22 ' A' ' 29' ' ' LEU . 53.5 m -63.87 -35.27 80.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -83.92 -8.62 59.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -74.54 118.35 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 1.4 mt-30 -73.56 163.11 28.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.846 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -147.2 158.01 45.03 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 110.444 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.04 -25.53 11.72 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.783 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.17 -101.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.595 ' H ' HG23 ' A' ' 39' ' ' THR . 0.6 OUTLIER -171.26 135.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.846 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.5 mtpp -86.64 119.83 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.37 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.9 -86.05 0.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.46 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 54.8 t80 -103.7 155.77 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.9 mt -137.75 116.21 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.562 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -112.36 126.68 55.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 78.1 mt -129.1 114.82 33.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.437 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 15.2 t -126.92 139.39 53.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HA ' HD22 ' A' ' 58' ' ' LEU . 9.6 ttm180 -97.07 142.35 29.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 26.4 tt0 -140.06 134.0 30.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.71 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.9 mm? -98.42 132.95 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.6 1.188 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.423 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 37.2 m170 -82.68 153.77 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 109.643 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.14 -6.78 47.96 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -85.97 -1.55 57.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.02 4.37 81.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 19.1 pt-20 -96.4 133.56 24.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.71 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.99 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.644 ' NE2' HG23 ' A' ' 17' ' ' THR . 4.4 t-80 -112.45 155.1 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.415 1.072 . . . . 0.0 109.583 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -131.77 137.83 48.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.854 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -116.04 144.91 43.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.566 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.714 HD12 ' OH ' ' A' ' 18' ' ' TYR . 51.9 mt -142.49 135.89 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.82 110.39 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.477 ' N ' HD22 ' A' ' 61' ' ' LEU . 1.9 mt -118.47 151.92 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.567 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 1.1 pt20 -136.06 114.93 12.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.507 ' CE2' ' HG2' ' A' ' 41' ' ' LYS . 35.3 m-85 -91.08 156.83 17.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -33.66 74.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.2 157.29 18.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.127 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -59.76 115.62 3.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.53 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.8 t80 -91.54 140.31 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.511 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 4.9 t-20 -98.49 118.17 34.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.619 1.2 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.3 t -115.73 70.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.403 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.4 t -94.43 31.56 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.424 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -161.54 128.66 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.755 ' HA ' HD11 ' A' ' 91' ' ' ILE . 7.0 mt-30 -88.81 33.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.464 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -116.52 -12.51 10.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.0 t80 -77.42 -27.77 52.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 16' ' ' LEU . 32.6 m-85 -104.5 13.55 31.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.464 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 65.7 m-20 -66.2 105.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.531 HD23 ' NE2' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -106.18 136.94 45.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.482 HG12 ' CG ' ' A' ' 86' ' ' HIS . 3.5 m -122.19 164.74 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' ARG . 34.8 t -85.08 119.25 72.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.949 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -3.18 13.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.6 p -114.0 -20.77 10.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.9 ttm180 -133.69 145.27 49.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.03 54.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.77 135.59 51.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.482 ' CG ' HG12 ' A' ' 79' ' ' VAL . 0.6 OUTLIER -105.66 146.8 29.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -126.37 134.18 51.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -112.84 99.51 48.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.507 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.5 Cg_endo -74.86 162.31 37.61 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.472 1.775 . . . . 0.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -91.81 123.15 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 73' ' ' GLN . 7.4 mt -85.43 132.86 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -135.25 133.03 38.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.346 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.7 114.52 4.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.83 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.513 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.5 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -43.5 98.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -57.6 -48.5 79.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.158 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 26.8 t80 -66.16 -36.03 82.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 111.046 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.568 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 58.8 mt -65.13 -37.49 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -30.56 68.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -75.0 72.54 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -82.99 172.19 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.426 ' O ' HG13 ' A' ' 110' ' ' VAL . . . 152.65 95.14 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 61.34 33.06 19.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 0.76 . . . . 0.0 109.237 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 108' ' ' GLY . 1.2 m -119.36 166.34 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.752 HD23 ' N ' ' A' ' 112' ' ' GLU . 6.2 tt -104.88 147.4 27.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.373 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.752 ' N ' HD23 ' A' ' 111' ' ' LEU . 33.3 mt-10 -133.73 130.71 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.676 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 11.3 t90 -138.83 152.75 48.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 108.048 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.676 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.22 179.78 10.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.38 121.08 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 6.2 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 9.4 t80 -79.2 102.33 8.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.418 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.82 115.83 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.938 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.447 HD11 ' CE1' ' A' ' 7' ' ' PHE . 27.1 mt -108.32 131.95 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.85 111.19 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.65 27.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -33.25 27.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.694 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.9 m-80 -114.43 141.22 47.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.462 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 7.2 m-85 -128.02 142.87 51.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.592 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 29.6 m-85 -120.19 121.45 38.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.794 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.4 mm? -104.48 129.62 52.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.586 HG23 ' NE2' ' A' ' 57' ' ' HIS . 24.3 m -122.2 124.48 43.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.505 ' CE2' HD13 ' A' ' 78' ' ' LEU . 9.4 m-85 -113.1 102.14 54.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.53 19.2 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 tttm 39.96 53.1 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.2 t -113.6 125.8 54.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.323 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.15 15.19 6.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 tp -70.89 134.16 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.692 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -87.13 162.82 17.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 8.2 pttt -70.63 -29.33 65.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -48.11 72.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.692 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.2 m120 -65.75 -44.05 87.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.02 -33.23 73.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.599 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.8 OUTLIER -69.01 -42.27 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.403 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 9.0 t -68.44 -45.57 72.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.585 ' O ' HD13 ' A' ' 35' ' ' LEU . 13.3 mt-30 -66.4 -47.55 72.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.107 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.419 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.9 mm -63.91 -45.25 97.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.599 ' HG1' HD22 ' A' ' 29' ' ' LEU . 43.4 m -63.67 -37.74 88.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.9 m120 -82.94 -7.1 59.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -74.43 119.54 18.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.0 mt-30 -82.25 161.19 22.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.612 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -148.82 156.43 41.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.493 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.461 1.769 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.612 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -116.26 -108.02 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.438 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.602 ' N ' ' OG1' ' A' ' 39' ' ' THR . 7.5 t-20 -173.16 140.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 8.3 mttp -89.85 118.89 29.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 65' ' ' GLU . 0.8 OUTLIER -90.93 -54.8 3.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.405 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 44.7 t80 -137.52 156.43 48.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.495 HD12 ' CE3' ' A' ' 113' ' ' TRP . 77.3 mt -140.0 117.19 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' CE ' HG21 ' A' ' 110' ' ' VAL . 5.6 tptt -115.95 126.8 54.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 53.3 mt -128.7 115.99 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.8 t -129.24 138.47 51.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 108.346 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -98.4 143.28 29.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.673 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 8.1 tp10 -141.53 134.68 29.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.674 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.1 mm? -97.9 135.26 39.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.429 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 40.9 m170 -84.28 155.5 22.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.558 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.97 -6.8 49.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -86.66 0.06 55.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.81 5.01 86.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.429 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 21.4 pt-20 -96.25 132.67 26.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.674 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.0 Cg_endo -75.09 123.5 7.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.452 1.764 . . . . 0.0 110.947 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.673 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 3.6 t-80 -111.78 155.59 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.647 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.791 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -132.7 134.8 45.25 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.791 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -118.58 142.92 47.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.551 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.414 HG13 HD12 ' A' ' 58' ' ' LEU . 39.7 mt -142.73 140.5 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.592 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.25 110.69 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.484 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 4.6 mt -117.07 149.93 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.6 HE21 ' HA ' ' A' ' 116' ' ' PHE . 1.2 pp0? -135.97 116.14 13.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 110.3 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 47.5 m-85 -91.91 156.08 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.56 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -61.64 -33.45 73.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.32 156.37 19.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -59.07 117.24 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.462 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 4.9 t80 -95.66 142.19 28.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -102.82 114.21 28.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.4 t -112.39 70.69 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 108.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.418 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.5 t -95.27 31.07 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 74' ' ' ARG . 29.1 t-20 -168.54 114.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.438 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -75.85 56.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.418 ' HG3' ' ND2' ' A' ' 72' ' ' ASN . 2.7 mmt85 -119.46 -29.05 5.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.8 t80 -74.07 -34.25 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.794 ' CE1' HD21 ' A' ' 16' ' ' LEU . 27.8 m-85 -91.96 12.47 21.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 73.0 m-20 -66.81 109.02 2.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.548 HD23 ' NE2' ' A' ' 31' ' ' GLN . 1.3 mt -111.84 136.83 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.405 HG11 ' CE1' ' A' ' 86' ' ' HIS . 2.3 m -123.76 164.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.2 t -85.75 118.94 71.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -4.52 15.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.8 p -111.15 -20.6 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 80' ' ' SER . 22.6 tpp180 -133.1 142.91 48.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.2 p -76.23 56.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.053 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.28 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.405 ' CE1' HG11 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -107.79 146.58 32.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.633 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.4 m-85 -126.36 133.27 51.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.53 102.97 53.39 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.176 . . . . 0.0 109.623 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.94 162.26 37.55 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.502 1.791 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -87.42 122.26 30.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.55 HG12 ' CD2' ' A' ' 76' ' ' PHE . 12.3 mt -90.64 126.28 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 3.1 tt0 -135.2 133.03 38.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.24 114.06 4.88 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -41.28 97.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 t -57.56 -46.77 83.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.497 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 1.4 t80 -70.13 -38.91 75.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.6 mt -59.49 -27.31 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.45 -39.73 24.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -74.83 73.4 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.408 ' HA ' HG11 ' A' ' 110' ' ' VAL . 3.3 p-10 -83.12 -163.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.36 99.16 1.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 61.28 39.56 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -119.22 163.47 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 5.4 tt -105.43 125.14 50.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -110.24 128.01 55.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.597 1.186 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.495 ' CE3' HD12 ' A' ' 44' ' ' ILE . 11.4 t90 -140.86 133.18 28.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.937 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.25 -175.46 54.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.62 131.58 53.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 0.716 . . . . 0.0 110.385 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.6 ' HA ' HE21 ' A' ' 63' ' ' GLN . 13.2 t80 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.589 ' CE1' HD11 ' A' ' 9' ' ' ILE . 10.6 t80 -74.55 101.68 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.432 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -133.58 119.03 18.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.06 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 7' ' ' PHE . 37.6 mt -114.12 136.18 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 110.65 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.36 163.24 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -84.49 -26.35 28.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.88 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 6.2 m-80 -117.8 141.73 48.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 70' ' ' CYS . 4.6 m-85 -133.37 143.38 48.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 24.3 m-85 -119.77 125.0 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.4 mm? -104.86 133.51 49.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.577 HG23 ' NE2' ' A' ' 57' ' ' HIS . 11.4 m -121.07 117.94 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 15.6 m-85 -109.76 102.19 49.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -75.04 135.03 18.46 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER 39.71 52.31 2.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.8 t -109.99 123.39 49.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.267 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 14.57 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 tp -70.98 134.52 47.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.4 p -86.89 165.06 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' CB ' HG21 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -71.11 -29.03 64.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -65.34 -48.52 72.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.407 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 8.1 m120 -66.76 -43.81 83.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.83 -32.87 73.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.548 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.11 -44.63 72.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -43.42 74.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.561 ' O ' HD13 ' A' ' 35' ' ' LEU . 16.1 mt-30 -66.13 -48.1 71.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.425 HG21 HD11 ' A' ' 62' ' ' ILE . 16.8 mm -65.49 -45.28 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.548 ' OG1' HD22 ' A' ' 29' ' ' LEU . 51.1 m -63.66 -33.54 75.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.374 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -85.14 -9.82 57.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.3 118.67 17.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.065 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.602 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.0 tt0 -80.63 162.48 24.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.561 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.64 158.33 43.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.498 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.1 -5.22 16.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.591 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.9 -107.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.591 ' N ' ' OG1' ' A' ' 39' ' ' THR . 10.0 t-20 -168.34 140.28 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.575 ' HZ2' HD11 ' A' ' 44' ' ' ILE . 4.7 mtpm? -90.87 121.25 32.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' HA3' ' A' ' 114' ' ' GLY . 1.1 tp -96.8 -87.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 66.9 t80 -104.97 163.33 12.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.575 HD11 ' HZ2' ' A' ' 41' ' ' LYS . 12.6 mt -141.23 128.7 21.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -121.35 108.49 13.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 25' ' ' LYS . 91.2 mt -113.2 115.44 49.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.137 . . . . 0.0 109.384 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -132.41 138.62 47.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 108.317 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -96.98 143.12 28.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -139.53 133.88 31.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.696 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.2 mm? -98.42 135.15 40.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 41.7 m170 -84.39 155.57 22.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 109.557 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.99 -6.91 51.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -86.11 0.63 53.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.84 4.33 87.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.399 1.062 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.416 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 22.1 pt-20 -96.31 133.68 24.61 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.696 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.99 123.38 7.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.577 ' NE2' HG23 ' A' ' 17' ' ' THR . 6.4 t-80 -111.99 153.25 27.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 0.0 109.602 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -128.92 137.31 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.835 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.89 141.85 49.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.477 HD11 ' HB1' ' A' ' 28' ' ' ALA . 45.2 mt -141.0 139.09 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.525 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -138.37 110.05 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.516 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.6 mt -115.93 151.07 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.565 HE21 ' HA ' ' A' ' 116' ' ' PHE . 1.2 pp0? -135.74 116.68 14.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -91.38 156.41 17.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -33.66 74.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.59 155.44 17.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -58.91 114.33 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.545 ' HB2' HG21 ' A' ' 39' ' ' THR . 4.1 t80 -92.68 142.28 27.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.425 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -100.34 107.4 19.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.826 ' SG ' HG21 ' A' ' 91' ' ' ILE . 37.4 t -103.89 70.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.432 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 2.6 t -98.67 32.4 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -162.46 120.83 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.772 ' HG2' HD12 ' A' ' 91' ' ' ILE . 26.5 mt-30 -87.64 42.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -116.2 -21.32 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.241 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.6 t80 -76.54 -38.72 54.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.519 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 26.5 m-85 -87.94 12.66 12.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 72.6 m-20 -66.71 106.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.555 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.4 mt -109.3 136.91 47.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.35 163.48 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 8.5 t -86.65 116.68 66.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.975 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 1.74 7.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 p -108.66 -25.8 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.354 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 3.0 ptp180 -137.11 150.52 48.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.77 60.31 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.948 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.88 140.54 50.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.15 147.77 31.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.549 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 13.6 m-85 -126.17 132.95 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.14 100.18 48.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.93 159.23 41.85 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.1 122.22 31.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.826 HG21 ' SG ' ' A' ' 70' ' ' CYS . 19.9 mt -86.86 128.84 39.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 3.6 mt-30 -135.45 132.84 37.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.252 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.4 113.91 4.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.509 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 12.8 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -48.08 80.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -57.99 -46.78 84.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -65.31 -33.8 76.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.2 mt -67.85 -32.34 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -70.9 -20.68 62.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -74.77 68.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.85 162.82 21.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 140.29 81.12 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.12 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 2.6 m-20 79.66 54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -141.03 168.28 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 112' ' ' GLU . 1.6 tt -130.29 115.75 17.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.065 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.567 ' N ' HD23 ' A' ' 111' ' ' LEU . 10.5 pm0 -110.0 145.88 36.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.655 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.6 t90 -129.9 153.22 48.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.008 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.655 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.91 -171.17 12.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 111.058 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.7 m -124.45 129.16 50.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.565 ' HA ' HE21 ' A' ' 63' ' ' GLN . 19.8 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 ttt85 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' CE1' HD11 ' A' ' 9' ' ' ILE . 27.8 t80 -77.41 102.16 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.423 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -133.01 115.29 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.944 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.519 HD11 ' CE1' ' A' ' 7' ' ' PHE . 60.0 mt -108.65 131.89 58.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.514 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -134.69 111.99 10.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.23 163.57 28.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.87 -34.47 33.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.652 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.2 m-80 -114.17 147.88 38.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.4 m-85 -133.19 142.68 48.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 25.2 m-85 -120.4 121.78 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.563 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.1 mm? -104.29 129.33 52.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.567 HG23 ' NE2' ' A' ' 57' ' ' HIS . 28.0 m -122.1 118.24 28.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.54 ' CE2' HD13 ' A' ' 78' ' ' LEU . 15.0 m-85 -107.31 101.98 41.53 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.08 139.67 24.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 6.2 mtmt 39.89 47.05 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.402 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.9 t -110.53 121.0 44.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.227 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.61 15.62 6.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 tp -68.62 136.02 52.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.658 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.4 p -86.93 162.24 17.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 5.5 pttp -69.77 -29.07 66.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -47.59 75.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.271 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.658 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.9 m120 -68.03 -44.29 76.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -66.7 -36.2 81.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.64 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.6 tm? -69.13 -43.75 73.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -63.65 -44.67 93.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 27' ' ' ASN . 5.2 mt-30 -70.4 -44.94 66.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.436 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.8 mm -61.52 -45.38 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.64 ' HG1' HD22 ' A' ' 29' ' ' LEU . 35.7 m -63.88 -34.21 77.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.2 m120 -84.83 -8.78 58.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.41 118.81 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.616 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 36.9 mt-30 -83.55 162.27 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.499 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.59 157.33 44.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.0 -6.39 18.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.603 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.47 -106.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.427 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 9.2 t-20 -171.03 143.33 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HE3' HD11 ' A' ' 44' ' ' ILE . 7.5 mtpp -89.17 117.32 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.378 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.46 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -92.26 -55.48 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 40.1 t80 -137.23 152.68 50.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.422 HD11 ' HE3' ' A' ' 41' ' ' LYS . 76.2 mt -138.32 117.7 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HE2' HG21 ' A' ' 110' ' ' VAL . 4.2 tptm -118.16 128.43 54.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 39.1 mt -128.37 115.31 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.4 ' SG ' ' CG1' ' A' ' 110' ' ' VAL . 46.9 t -127.53 137.02 52.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.354 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.454 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 17.5 ttt180 -103.98 141.75 35.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -141.21 133.57 28.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.901 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.8 mm? -98.83 135.09 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.441 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 54.4 m170 -81.32 154.32 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -74.3 -6.67 49.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.346 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -86.17 1.39 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.61 3.83 88.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 12.8 pt-20 -96.51 133.05 25.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.901 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.5 Cg_endo -74.94 148.56 35.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.072 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.567 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.8 t-80 -141.0 151.08 43.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.528 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.87 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -128.71 140.17 51.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.87 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -124.06 140.07 53.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.599 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.471 HG13 HD12 ' A' ' 58' ' ' LEU . 58.6 mt -143.08 139.28 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.563 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.33 109.92 7.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.441 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.1 mt -115.71 150.24 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.704 ' NE2' ' CD1' ' A' ' 116' ' ' PHE . 1.0 OUTLIER -136.11 116.48 13.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.262 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 41.3 m-85 -90.63 156.76 17.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -61.22 -33.88 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.37 158.03 19.66 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -59.32 113.82 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.574 ' HB2' HG21 ' A' ' 39' ' ' THR . 4.1 t80 -92.35 138.8 31.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.514 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.4 t-20 -99.64 107.19 19.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.1 t -105.79 70.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.531 1.144 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.2 t -93.2 29.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -159.25 120.41 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 21.8 mt-30 -87.16 42.65 1.04 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 3.7 mmt85 -116.78 -19.55 9.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.616 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.7 t80 -76.83 -39.24 51.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CD2' HG12 ' A' ' 91' ' ' ILE . 27.4 m-85 -87.97 12.64 12.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.413 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.5 m-20 -66.92 107.35 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -106.85 137.07 45.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 m -122.52 164.59 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 21.2 t -85.31 118.71 71.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.42 13.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.598 1.841 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 p -112.86 -20.71 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' SER . 2.6 ttt180 -133.56 144.51 49.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -76.7 55.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.8 140.23 51.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -107.59 147.93 29.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.564 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 22.2 m-85 -126.23 136.03 52.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.79 100.98 48.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.01 160.63 39.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -92.19 115.48 28.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.493 HG12 ' CD2' ' A' ' 76' ' ' PHE . 10.1 mt -86.91 127.56 40.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.15 132.91 38.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.88 114.49 4.57 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.652 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.485 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.0 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -50.39 71.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.4 t -57.93 -49.32 77.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.949 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -62.39 -35.45 79.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 26.2 mt -67.22 -31.22 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.062 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.18 -29.27 60.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -74.67 69.56 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -83.09 172.16 12.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.39 96.7 0.14 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 61.44 34.48 18.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 0.0 109.368 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.541 HG21 ' HE2' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -120.09 166.82 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.4 tt -104.66 143.93 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.623 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -127.74 129.94 47.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.221 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.605 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 18.5 t90 -138.24 152.26 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.605 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 63.49 -178.82 6.5 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -124.28 124.02 41.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 0.814 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.704 ' CD1' ' NE2' ' A' ' 63' ' ' GLN . 19.1 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.634 ' CE1' HD11 ' A' ' 9' ' ' ILE . 9.6 t80 -74.69 102.12 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 111.082 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.4 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -132.96 111.46 11.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.634 HD11 ' CE1' ' A' ' 7' ' ' PHE . 19.8 mt -108.42 139.55 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.83 111.37 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.5 163.23 27.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -88.23 -25.83 22.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.745 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 7.4 m-80 -117.93 131.37 56.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 11.8 m-85 -126.42 142.82 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.594 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 20.8 m-85 -120.39 122.94 41.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.543 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.7 mm? -104.68 129.62 52.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -113.99 121.54 44.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.574 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 17.7 m-85 -111.95 102.96 54.81 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.03 136.89 20.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER 38.03 51.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.368 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 13.8 t -106.64 123.15 47.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -86.31 11.61 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD21 HD22 ' A' ' 78' ' ' LEU . 23.9 tp -71.34 134.21 46.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.677 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 9.2 p -85.13 159.22 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HB3' HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -67.1 -29.45 69.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.06 -47.88 72.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.677 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 5.2 m120 -66.45 -43.27 86.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.729 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.81 -36.03 82.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.631 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.4 OUTLIER -69.22 -41.89 76.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.416 ' N ' HD13 ' A' ' 29' ' ' LEU . 3.5 m -68.1 -45.33 74.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.535 ' CD ' HD23 ' A' ' 78' ' ' LEU . 58.3 mt-30 -66.98 -47.59 71.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 3.5 mm -63.76 -45.43 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.23 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.631 ' HG1' HD22 ' A' ' 29' ' ' LEU . 23.8 m -61.87 -33.84 74.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -84.38 -9.49 58.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.175 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -74.62 118.83 18.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.611 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.6 OUTLIER -79.08 162.5 25.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.611 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -147.47 156.95 45.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.345 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -74.93 -7.48 19.26 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.57 1.827 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -110.62 -107.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.39 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.585 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.9 OUTLIER -168.32 132.36 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.611 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.5 mtpp -87.07 118.67 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.691 HD13 ' HB2' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -94.44 -84.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.382 1.052 . . . . 0.0 109.354 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 56.2 t80 -103.71 156.15 18.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 62' ' ' ILE . 87.6 mt -143.82 115.89 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 26.1 tptp -123.06 127.53 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.523 HG23 HD11 ' A' ' 58' ' ' LEU . 4.9 mt -126.12 115.62 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.418 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 27.2 t -116.06 138.95 50.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.343 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -96.87 141.52 29.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -149.47 134.26 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.423 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 9.3 mp -98.7 135.85 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.6 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 59.5 m170 -82.71 156.99 23.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.653 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.52 -5.51 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -80.8 1.59 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.78 -0.5 86.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 2.8 pt-20 -96.12 137.94 21.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.44 0.729 . . . . 0.0 110.349 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.423 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.5 Cg_endo -74.95 123.34 7.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.6 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 4.3 t-80 -110.24 155.05 22.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.851 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -127.08 138.36 53.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.851 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.88 137.05 53.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.729 HD11 ' HB1' ' A' ' 28' ' ' ALA . 4.0 mt -132.4 137.19 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.594 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 tm? -138.71 110.47 7.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.656 HG23 HG12 ' A' ' 44' ' ' ILE . 1.6 mt -121.01 151.18 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' CG ' ' HB3' ' A' ' 43' ' ' PHE . 1.3 pt20 -136.09 116.57 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -91.61 154.42 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.691 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -61.88 -33.83 74.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.35 156.87 17.75 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -58.82 112.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 0.731 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.585 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 5.8 t80 -90.74 142.45 27.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -99.53 110.73 23.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.807 ' SG ' HD13 ' A' ' 91' ' ' ILE . 8.9 t -105.79 68.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.4 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.7 t -96.87 31.55 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 110.333 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -162.21 123.31 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.825 ' HA ' HD11 ' A' ' 91' ' ' ILE . 1.3 pt20 -89.83 38.08 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 7.0 mmt180 -115.45 -17.94 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.247 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 9.6 t80 -76.99 -38.85 52.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CE1' HD21 ' A' ' 16' ' ' LEU . 14.8 m-85 -88.31 13.01 12.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 66.3 m-20 -66.44 106.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.535 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.1 mt -108.07 138.37 44.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 m -122.66 165.15 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 34.0 t -84.87 118.99 72.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.937 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.98 14.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.3 p -112.92 -20.59 11.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 80' ' ' SER . 7.1 ttm180 -133.64 144.93 49.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.93 55.53 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.74 142.79 51.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -108.5 147.67 31.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.586 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 19.8 m-85 -126.28 132.0 51.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.53 100.95 44.23 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.577 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.574 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.09 163.07 35.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -91.42 124.23 35.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.825 HD11 ' HA ' ' A' ' 73' ' ' GLN . 48.4 mt -83.83 126.23 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -135.39 132.27 37.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.07 113.78 4.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.493 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.7 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' N ' HG23 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -58.71 -39.61 81.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -45.0 86.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -70.74 -33.67 71.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 77.5 mt -67.82 -33.53 62.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.6 -22.9 59.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -74.97 68.28 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -82.67 154.05 25.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 148.46 100.31 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 33.6 m-20 64.29 36.18 9.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.478 HG21 ' HE2' ' A' ' 45' ' ' LYS . 2.7 m -122.41 168.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.543 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -129.28 119.37 23.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -105.91 145.81 30.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.433 ' N ' ' HG2' ' A' ' 112' ' ' GLU . 12.4 t90 -140.5 140.8 35.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 108.035 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.47 -171.59 54.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -123.81 127.42 48.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 0.747 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.493 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 19.0 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.613 ' CE1' HD11 ' A' ' 9' ' ' ILE . 10.0 t80 -78.61 102.17 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.419 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.94 116.06 15.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 7' ' ' PHE . 22.7 mt -112.56 136.61 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.495 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -135.07 112.13 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.16 163.48 28.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.258 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -34.69 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.744 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.8 m-80 -113.96 144.73 42.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 8.6 m-85 -132.94 143.49 49.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 15.2 m-85 -120.72 119.52 33.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.477 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.1 mm? -104.47 134.21 48.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.731 HG23 ' NE2' ' A' ' 57' ' ' HIS . 91.6 m -123.14 137.71 54.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.44 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.714 ' OH ' HD12 ' A' ' 60' ' ' ILE . 1.8 m-85 -123.5 101.95 36.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.9 21.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt 39.54 47.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.8 t -107.08 123.46 48.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.94 14.65 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.04 135.19 47.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.685 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.0 p -86.91 163.11 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.54 -29.34 65.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -47.38 74.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.685 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -67.29 -43.62 81.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' O ' ' HB ' ' A' ' 32' ' ' ILE . . . -67.23 -36.98 82.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.671 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.8 OUTLIER -68.98 -43.74 74.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.408 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 42.6 m -63.76 -45.19 90.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.598 ' O ' HD13 ' A' ' 35' ' ' LEU . 37.4 mt-30 -68.34 -47.09 68.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.781 HD13 ' CD2' ' A' ' 35' ' ' LEU . 9.6 mm -61.76 -44.97 99.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.671 ' HG1' HD22 ' A' ' 29' ' ' LEU . 99.9 m -62.31 -32.27 72.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.4 m120 -87.64 -8.09 56.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.781 ' CD2' HD13 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -73.9 117.72 16.01 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.607 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.8 mt-30 -81.21 160.5 24.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.561 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -148.87 156.81 40.98 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.0 -1.84 11.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.575 1.829 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.617 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -117.94 -108.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.617 ' N ' ' OG1' ' A' ' 39' ' ' THR . 9.4 t-20 -172.32 143.65 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -90.1 117.54 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -87.31 -61.12 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 62.5 t80 -137.49 158.37 44.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.437 HG23 HG12 ' A' ' 62' ' ' ILE . 36.7 mt -136.72 129.35 44.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 3.0 tmtt? -127.4 110.56 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.597 HD12 ' HB2' ' A' ' 29' ' ' LEU . 53.2 mt -116.26 116.29 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.82 132.81 47.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.268 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 141.85 29.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . 26.3 tp10 -148.93 134.32 18.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 7.6 mp -97.22 135.27 39.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.549 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 54.8 m170 -82.65 157.63 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -5.71 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -81.32 -0.45 41.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.77 2.92 90.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -96.14 133.69 24.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 0.789 . . . . 0.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.07 123.58 7.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.731 ' NE2' HG23 ' A' ' 17' ' ' THR . 1.7 t-80 -120.85 155.62 33.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.562 HD21 HG23 ' A' ' 46' ' ' ILE . 4.5 tt -135.41 143.23 45.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.41 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -116.09 150.6 37.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.581 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.714 HD12 ' OH ' ' A' ' 18' ' ' TYR . 4.4 mt -142.6 137.02 28.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.556 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -138.16 110.4 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.507 ' N ' HD22 ' A' ' 61' ' ' LEU . 4.0 mt -121.09 149.98 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.217 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.684 ' NE2' ' CG ' ' A' ' 116' ' ' PHE . 1.8 pt20 -135.85 116.96 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 53.3 m-85 -91.36 156.46 17.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 111.049 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -33.66 74.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.23 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.6 156.47 18.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -59.19 118.91 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.447 0.733 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.425 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 7.4 t80 -97.41 142.4 29.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 4.6 t-20 -100.55 111.11 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.2 t -105.49 69.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 108.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.419 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.9 t -98.84 33.2 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -170.59 113.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.232 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.482 ' HB3' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -79.58 50.11 1.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HA ' ' OD2' ' A' ' 77' ' ' ASP . 4.6 mmm-85 -116.29 -24.01 8.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.0 t80 -76.41 -38.35 55.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.523 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 23.4 m-85 -88.08 12.92 12.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.41 ' OD2' ' HA ' ' A' ' 74' ' ' ARG . 75.2 m-20 -66.36 106.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.627 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -108.4 136.54 47.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.533 HG12 ' CG ' ' A' ' 86' ' ' HIS . 4.0 m -124.22 164.66 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.504 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 8.2 t -85.25 119.61 72.54 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.87 14.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -20.41 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.474 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.7 tpp180 -133.37 143.78 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.1 t -76.73 55.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.5 141.14 51.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.533 ' CG ' HG12 ' A' ' 79' ' ' VAL . 0.6 OUTLIER -107.86 145.9 33.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.398 1.061 . . . . 0.0 109.62 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 80' ' ' SER . 12.1 m-85 -126.52 132.88 51.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -114.69 101.91 54.59 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.591 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.03 166.18 29.71 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -87.26 123.36 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.61 HG21 ' SG ' ' A' ' 70' ' ' CYS . 9.6 mt -89.09 128.37 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -135.35 132.95 38.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.194 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.4 114.25 4.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.744 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.474 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.7 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -44.87 89.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.5 m -57.86 -49.3 77.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.418 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 70.3 t80 -63.8 -34.76 78.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 116' ' ' PHE . 82.5 mt -68.94 -38.16 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -25.09 66.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -74.83 71.71 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.414 ' HA ' HG11 ' A' ' 110' ' ' VAL . 2.2 t0 -82.81 177.41 8.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 138.23 90.31 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.8 OUTLIER 63.49 37.62 10.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -116.4 161.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 29' ' ' LEU . 5.1 tt -105.03 121.9 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' N ' HD23 ' A' ' 111' ' ' LEU . 48.5 mt-10 -113.14 134.66 54.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 110.335 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.548 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 9.6 t90 -140.88 144.62 35.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 107.99 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.548 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 73.66 -177.2 44.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.76 119.07 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.684 ' CG ' ' NE2' ' A' ' 63' ' ' GLN . 11.9 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.0 t80 -78.91 102.51 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.405 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -132.51 113.59 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' A' ' 7' ' ' PHE . 44.3 mt -106.8 133.63 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.52 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -134.61 111.96 10.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.42 163.35 27.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.75 -33.6 30.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.725 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.9 m-80 -114.42 146.06 41.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.2 m-85 -132.24 144.13 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 61' ' ' LEU . 14.0 m-85 -120.08 121.76 39.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -104.9 133.83 49.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.835 HG23 ' NE2' ' A' ' 57' ' ' HIS . 60.9 m -124.02 117.98 25.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.8 ' OH ' HD12 ' A' ' 60' ' ' ILE . 13.8 m-85 -106.65 102.42 41.59 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.05 137.05 21.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' PRO . 11.3 tttt 39.15 44.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.503 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.3 t -102.3 121.07 41.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.095 . . . . 0.0 108.254 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.72 13.89 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.4 HD21 HD22 ' A' ' 78' ' ' LEU . 20.1 tp -71.04 135.67 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 p -86.78 164.97 16.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.87 -27.93 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.462 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 6.6 mt-10 -66.02 -48.57 70.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.413 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 8.2 m120 -67.07 -44.31 80.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.47 -34.12 76.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.601 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -68.91 -44.31 73.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.407 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 74.8 m -67.86 -45.27 75.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.092 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.588 ' O ' HD13 ' A' ' 35' ' ' LEU . 10.6 mt-30 -66.1 -47.53 73.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.2 mm -64.86 -45.76 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.601 ' HG1' HD22 ' A' ' 29' ' ' LEU . 43.0 m -62.49 -38.71 90.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.7 m120 -81.28 -9.34 59.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.49 118.72 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.632 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.6 tm0? -82.22 162.78 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.064 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.551 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -146.8 158.9 45.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.401 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -75.02 -4.15 14.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.757 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.605 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -116.43 -107.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.407 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.605 ' H ' HG23 ' A' ' 39' ' ' THR . 7.0 t-20 -169.88 141.08 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -90.79 120.45 31.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -92.5 -57.68 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.379 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' O ' HG23 ' A' ' 62' ' ' ILE . 58.1 t80 -138.48 158.62 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.2 mt -137.66 121.5 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' HE3' HG21 ' A' ' 110' ' ' VAL . 10.7 tptt -114.17 124.67 52.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.567 HG23 HD21 ' A' ' 58' ' ' LEU . 30.8 mt -129.79 116.16 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 55.8 m -130.2 137.2 49.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.249 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.4 143.79 27.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' HIS . 9.0 tp10 -145.63 133.52 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 1.0 OUTLIER -98.21 135.23 40.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.46 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 20.6 m170 -89.39 156.8 18.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.18 -6.55 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -83.28 -4.63 58.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.92 0.18 81.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -96.3 126.23 44.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 110.286 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.66 8.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.835 ' NE2' HG23 ' A' ' 17' ' ' THR . 3.5 t-80 -118.47 156.39 29.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.567 HD21 HG23 ' A' ' 46' ' ' ILE . 5.0 tt -135.39 143.0 45.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.541 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -116.93 144.88 44.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.598 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.8 HD12 ' OH ' ' A' ' 18' ' ' TYR . 42.3 mt -142.42 137.62 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 61' ' ' LEU . 1.2 tm? -136.18 110.2 8.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 43' ' ' PHE . 3.0 mt -115.36 151.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.509 HE21 ' HA ' ' A' ' 116' ' ' PHE . 1.2 pp0? -135.7 116.34 13.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.07 . . . . 0.0 110.342 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -91.43 156.46 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.548 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.32 -33.94 74.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.5 155.64 18.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -59.24 112.84 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.577 ' HB2' HG21 ' A' ' 39' ' ' THR . 6.5 t80 -91.03 142.35 27.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.52 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.6 t-20 -100.97 106.35 17.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.567 ' SG ' HG21 ' A' ' 91' ' ' ILE . 12.6 t -102.74 70.39 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.147 . . . . 0.0 108.253 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.3 t -94.95 30.62 2.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 110.447 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -161.94 117.88 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.933 ' HG2' HD12 ' A' ' 91' ' ' ILE . 9.0 mt-30 -86.74 43.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.228 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.401 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 4.2 mtm180 -117.18 -20.0 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.632 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.8 -38.74 53.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.539 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 33.5 m-85 -87.79 12.2 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.401 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 71.2 m-20 -66.91 108.22 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD23 ' NE2' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -109.24 137.1 47.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 86' ' ' HIS . 4.4 m -126.11 164.61 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 9.7 t -85.16 118.88 71.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -2.26 12.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.2 p -113.67 -21.01 10.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.356 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 4.3 ttm180 -134.08 144.92 48.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.253 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.35 54.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.945 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.71 125.27 39.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.553 ' CE1' HG11 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -95.33 147.73 23.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.661 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 21.5 m-85 -126.23 131.22 51.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.71 101.24 42.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.479 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.94 158.11 42.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.75 121.79 32.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.933 HD12 ' HG2' ' A' ' 73' ' ' GLN . 7.1 mt -88.77 128.61 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.231 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -135.45 133.16 38.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.342 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.4 113.89 4.5 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.461 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 14.1 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.1 tptt -61.28 -40.94 95.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 t -57.81 -45.47 86.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.978 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.471 ' CE2' ' HG2' ' A' ' 45' ' ' LYS . 22.1 t80 -69.68 -33.4 72.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.497 HD11 ' CE2' ' A' ' 116' ' ' PHE . 66.2 mt -67.49 -36.21 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.92 -25.91 66.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -74.44 71.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.99 -172.94 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 114.0 101.14 2.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 2.2 m-20 63.42 43.64 5.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -131.29 166.98 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 112' ' ' GLU . 1.1 tt -131.45 113.94 14.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.567 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.3 OUTLIER -113.07 145.08 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.622 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 20.4 t90 -131.14 154.69 48.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.614 1.196 . . . . 0.0 108.039 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.622 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 70.7 -174.69 38.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -124.31 119.56 29.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.509 ' HA ' HE21 ' A' ' 63' ' ' GLN . 6.5 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 30.7 t80 -76.16 102.57 5.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.8 113.91 13.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.9 mt -111.87 135.58 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 1.5 mtpt -134.52 109.94 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.165 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.46 163.63 27.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -21.35 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.593 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.6 m-80 -117.17 134.62 54.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.578 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 4.5 m-85 -131.04 137.16 49.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 23.8 m-85 -120.29 124.62 46.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.588 HD21 ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -104.77 129.37 53.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' NE2' ' A' ' 57' ' ' HIS . 31.8 m -119.46 118.23 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.929 ' OH ' HD12 ' A' ' 60' ' ' ILE . 4.4 m-85 -108.95 104.24 54.32 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.05 136.52 20.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.442 1.759 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 39.79 48.14 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -105.36 122.12 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.88 14.6 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 tp -70.9 134.69 47.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.488 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.4 p -86.83 162.45 17.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.396 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.16 -27.57 64.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -66.27 -47.79 72.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.299 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.488 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.1 m120 -68.05 -43.74 77.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.72 -32.26 72.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -69.15 -44.15 72.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.404 ' N ' HD13 ' A' ' 29' ' ' LEU . 61.5 m -69.66 -43.49 72.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.596 ' O ' HD13 ' A' ' 35' ' ' LEU . 14.8 mt-30 -66.18 -48.02 72.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.2 mm -65.29 -45.74 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.501 ' OG1' HD22 ' A' ' 29' ' ' LEU . 52.5 m -64.19 -33.38 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.38 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -85.51 -10.34 56.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -73.54 118.93 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.371 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.618 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.1 mt-30 -79.29 162.17 25.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.514 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.91 158.61 42.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 -6.2 17.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.599 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -114.13 -107.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.378 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.599 ' N ' ' OG1' ' A' ' 39' ' ' THR . 10.2 t-20 -168.68 139.89 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HZ2' HD11 ' A' ' 44' ' ' ILE . 4.5 mtpm? -91.08 126.68 36.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.54 -86.81 0.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.546 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 60.6 t80 -103.27 156.26 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.589 HD11 ' HZ2' ' A' ' 41' ' ' LYS . 9.3 mt -138.02 120.23 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -113.58 109.22 18.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.424 ' O ' ' HB ' ' A' ' 110' ' ' VAL . 62.9 mt -115.96 114.41 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.1 m -131.3 138.47 49.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 108.295 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -100.57 142.85 31.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -136.88 134.56 36.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -98.19 135.25 40.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 23.1 m170 -88.85 155.62 19.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.647 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -77.01 -6.13 51.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.228 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.38 -4.61 57.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.68 -1.47 78.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -96.41 132.56 26.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.308 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.01 128.37 11.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.556 ' NE2' HG23 ' A' ' 17' ' ' THR . 6.1 t-80 -112.68 152.86 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -130.44 141.12 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.888 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -126.14 141.59 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.616 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.929 HD12 ' OH ' ' A' ' 18' ' ' TYR . 50.3 mt -142.04 139.63 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 tm? -138.66 111.05 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.442 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 1.5 mt -114.97 149.74 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.551 ' NE2' ' CG ' ' A' ' 116' ' ' PHE . 1.2 pp0? -135.88 116.19 13.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.42 ' CE2' HG21 ' A' ' 37' ' ' THR . 55.8 m-85 -91.48 156.89 17.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -33.37 73.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.51 157.47 19.62 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.542 1.151 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -58.78 119.6 7.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 0.729 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 5.0 t80 -97.93 142.1 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.521 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 4.7 t-20 -99.46 106.2 18.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.195 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.768 ' SG ' HG21 ' A' ' 91' ' ' ILE . 49.2 t -98.88 67.81 1.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.5 t -96.89 31.79 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -161.39 117.37 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -87.77 37.35 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.379 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -115.2 -20.61 10.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.618 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.4 t80 -76.15 -37.71 57.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CE1' HD21 ' A' ' 16' ' ' LEU . 32.1 m-85 -88.35 12.38 14.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -66.78 110.0 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.506 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.4 mt -110.04 136.91 48.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.0 m -123.67 164.68 21.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.47 ' O ' ' O ' ' A' ' 83' ' ' ARG . 22.7 t -85.17 119.01 72.0 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -8.49 20.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -18.38 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 80' ' ' SER . 12.7 ttt180 -132.97 142.99 49.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.05 55.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.73 142.5 50.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -108.59 147.23 32.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.685 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 20.4 m-85 -126.09 133.84 51.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.35 100.84 43.17 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.553 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.06 160.77 39.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -101.02 120.72 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.768 HG21 ' SG ' ' A' ' 70' ' ' CYS . 1.0 OUTLIER -87.41 128.78 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -135.41 133.34 38.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.04 122.76 7.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.593 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.626 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 23.5 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -38.54 79.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -57.72 -46.63 84.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -71.45 -33.71 69.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.07 -32.95 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.39 -24.59 64.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -74.88 69.21 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -83.0 -172.96 4.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.17 81.92 0.65 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.3 67.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.772 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 1.2 m -140.89 163.58 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.656 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.6 tt -104.86 147.6 27.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.656 ' N ' HD23 ' A' ' 111' ' ' LEU . 10.0 mt-10 -131.74 124.15 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.664 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 14.4 t90 -134.08 153.54 51.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 108.001 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.664 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.73 176.64 3.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.44 1.088 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.36 122.69 38.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.386 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.3 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 12.1 t80 -78.27 102.72 7.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.31 110.3 10.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.954 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.416 HD11 ' HE1' ' A' ' 7' ' ' PHE . 60.3 mt -103.98 134.56 44.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.96 111.78 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.21 163.65 28.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 64' ' ' PHE . 12.0 ttmt -83.67 -31.93 25.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.8 m-80 -114.45 146.88 40.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 4.1 m-85 -133.14 139.8 47.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.531 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 17.6 m-85 -120.0 121.7 39.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.3 mm? -104.9 133.7 49.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 m -121.84 118.66 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.444 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.524 ' OH ' HD12 ' A' ' 60' ' ' ILE . 20.0 m-85 -107.77 102.96 47.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' C ' ' CG ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.05 129.9 12.73 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.472 1.775 . . . . 0.0 110.943 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' CG ' ' C ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 43.28 56.41 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.6 t -114.29 123.83 50.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -86.89 14.21 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.415 HD21 HD22 ' A' ' 78' ' ' LEU . 19.0 tp -70.99 133.86 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.473 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.2 p -86.95 164.22 16.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.46 -28.31 63.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -48.89 73.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.473 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 6.1 m120 -67.25 -44.21 79.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.49 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.4 -33.4 75.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.671 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.4 tm? -69.34 -43.82 72.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -45.17 80.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.539 ' CD ' HD23 ' A' ' 78' ' ' LEU . 36.6 mt-30 -67.59 -48.59 66.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 7.3 mm -62.42 -45.8 97.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.64 ' OG1' HD22 ' A' ' 29' ' ' LEU . 69.0 m -63.23 -38.53 91.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.43 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -81.1 -9.16 59.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.585 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.61 118.82 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.4 pt20 -81.87 162.58 22.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.61 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.25 156.48 46.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.0 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.61 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -114.12 -107.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.592 ' H ' HG23 ' A' ' 39' ' ' THR . 0.5 OUTLIER -168.59 131.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.57 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 4.0 mtpp -80.41 120.87 25.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.457 ' CD1' ' OD1' ' A' ' 40' ' ' ASN . 1.0 OUTLIER -96.09 -85.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 48.1 t80 -102.64 154.67 18.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.658 HG12 HG23 ' A' ' 62' ' ' ILE . 99.7 mt -144.21 115.46 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.615 ' HE2' HG21 ' A' ' 110' ' ' VAL . 4.2 tttm -127.55 129.2 46.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.963 HG23 HG12 ' A' ' 60' ' ' ILE . 6.9 mt -125.88 116.59 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 39.3 t -122.58 136.37 54.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -100.23 143.18 30.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -138.23 133.45 33.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -98.49 135.23 40.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.426 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 31.7 m170 -88.04 154.33 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -73.97 -6.69 48.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -86.38 -0.85 56.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.42 5.82 84.49 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.442 1.089 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 16.2 pt-20 -96.37 125.92 45.77 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.506 0.768 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.67 8.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.465 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 6.3 t-80 -111.01 154.35 24.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.655 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.797 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -131.84 135.53 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.797 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -116.88 142.94 46.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.559 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.963 HG12 HG23 ' A' ' 46' ' ' ILE . 7.9 mt -140.44 137.39 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.531 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.24 110.15 7.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.658 HG23 HG12 ' A' ' 44' ' ' ILE . 6.3 mt -117.42 154.12 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -129.7 138.99 51.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.486 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 85.4 m-85 -116.74 148.02 41.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -33.52 74.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.19 157.15 20.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.33 109.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 0.728 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.537 ' HB2' HG21 ' A' ' 39' ' ' THR . 5.1 t80 -87.69 136.58 32.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -98.69 111.29 23.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.642 ' SG ' HD13 ' A' ' 91' ' ' ILE . 31.2 t -107.73 70.4 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 108.329 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.443 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.6 OUTLIER -92.48 29.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -161.94 120.12 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.675 ' HG2' HD12 ' A' ' 91' ' ' ILE . 12.6 mt-30 -86.99 44.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.43 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -117.1 -18.24 10.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.364 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.5 t80 -77.28 -40.23 45.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -87.91 13.05 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.637 1.211 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.43 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.1 m-20 -66.64 110.43 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.539 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -109.28 136.9 47.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 m -125.01 164.83 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 83' ' ' ARG . 42.7 t -85.08 117.68 69.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.95 17.44 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.24 -20.73 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 6.8 ttm180 -133.55 144.19 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -76.27 57.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.37 137.89 51.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.14 146.23 30.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 17.0 m-85 -126.19 130.35 50.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.9 101.34 43.91 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.486 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.98 159.48 41.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.803 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -87.17 122.58 31.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.675 HD12 ' HG2' ' A' ' 73' ' ' GLN . 62.0 mt -86.86 126.44 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -135.53 132.8 37.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.213 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.58 113.47 4.72 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.517 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 21.0 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -44.1 94.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.3 t -57.88 -47.33 83.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -68.03 -35.35 78.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.62 -35.56 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -72.11 -23.3 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -74.89 67.39 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.01 169.91 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.233 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 110' ' ' VAL . . . 147.37 96.68 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.7 OUTLIER 62.23 34.59 15.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.736 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.615 HG21 ' HE2' ' A' ' 45' ' ' LYS . 1.4 m -122.35 166.46 17.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.898 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.7 tt -105.14 146.7 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.898 ' N ' HD23 ' A' ' 111' ' ' LEU . 5.9 mt-10 -128.13 131.13 48.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.676 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 11.9 t90 -141.4 153.81 45.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.676 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.12 175.69 2.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.01 125.68 44.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 0.719 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.517 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 14.0 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.8 t80 -74.13 102.71 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.23 110.49 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.469 HD11 ' CE1' ' A' ' 7' ' ' PHE . 36.1 mt -102.54 134.47 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -135.07 111.66 9.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.418 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . . . -162.41 163.47 27.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.61 -32.57 25.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.693 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.8 m-80 -114.09 145.74 41.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -133.81 141.3 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 111.031 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 30.9 m-85 -120.14 121.68 39.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.2 mm? -104.17 134.19 47.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -121.65 118.45 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.624 ' CE2' HD13 ' A' ' 78' ' ' LEU . 17.6 m-85 -108.12 101.72 42.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.09 137.57 21.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.586 1.835 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.9 OUTLIER 39.2 47.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.498 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.3 t -105.74 120.62 42.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 108.289 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -86.81 14.29 7.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.597 1.186 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.402 HD21 HD22 ' A' ' 78' ' ' LEU . 20.7 tp -70.27 136.32 49.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.501 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.3 p -86.57 164.54 16.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.371 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -71.11 -28.64 64.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.17 -49.13 70.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.501 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 7.7 m120 -65.7 -43.99 87.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.493 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.75 -32.45 72.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -69.24 -45.03 70.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.433 ' N ' HD13 ' A' ' 29' ' ' LEU . 58.0 m -68.66 -43.11 76.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.563 ' O ' HD13 ' A' ' 35' ' ' LEU . 28.6 mt-30 -66.55 -48.12 70.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 28' ' ' ALA . 10.2 mm -65.12 -46.14 92.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.546 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.9 m -62.65 -35.2 78.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -83.59 -9.69 58.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.33 118.78 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.621 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.8 pt20 -80.3 161.98 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.573 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.42 155.24 45.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 17.9 Cg_endo -75.06 -6.36 17.93 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.515 1.798 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.658 HG21 ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -111.25 -108.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.597 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.6 OUTLIER -169.91 134.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 9.4 mttp -84.83 116.7 23.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.235 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -88.36 -63.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.527 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 62.1 t80 -137.36 160.88 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.424 HG22 HG13 ' A' ' 46' ' ' ILE . 25.4 mt -136.27 132.16 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.546 ' HE2' HG21 ' A' ' 110' ' ' VAL . 14.1 tptm -123.12 106.17 10.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 41.0 mt -112.32 116.19 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.6 t -127.14 140.07 52.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.499 ' HA ' HD22 ' A' ' 58' ' ' LEU . 32.8 ttt180 -96.59 142.51 28.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.222 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.723 ' O ' HD22 ' A' ' 50' ' ' LEU . 21.0 tt0 -133.52 140.47 47.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.737 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.8 mm? -126.69 135.55 51.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.439 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 22.7 m170 -95.11 155.29 16.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.118 . . . . 0.0 109.591 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -77.11 -6.59 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.23 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.27 -3.28 58.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.35 4.98 73.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 19.0 pt-20 -96.29 120.52 62.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 110.291 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.737 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.0 149.88 37.32 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 7.6 t-80 -141.15 152.64 44.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.567 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.824 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -133.13 136.94 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.824 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.67 141.25 48.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.658 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.49 HD12 ' OH ' ' A' ' 18' ' ' TYR . 6.9 mt -141.88 134.73 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.445 1.091 . . . . 0.0 109.381 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.583 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -138.46 110.27 7.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.583 ' N ' HD22 ' A' ' 61' ' ' LEU . 1.6 mp -116.11 152.28 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.576 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 1.2 pp0? -135.95 115.41 12.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 64.1 m-85 -91.35 155.51 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.33 -33.81 75.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.02 156.03 18.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.418 ' CD ' ' HA ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -59.35 111.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 0.803 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.658 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.6 t80 -89.74 140.13 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 5.2 t-20 -98.67 116.19 30.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.58 ' SG ' HD13 ' A' ' 91' ' ' ILE . 15.4 t -113.14 69.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.2 OUTLIER -91.45 22.07 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 110.392 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -154.27 120.3 5.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.794 ' HG2' HD12 ' A' ' 91' ' ' ILE . 26.8 mt-30 -86.55 44.02 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -118.39 -16.68 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.621 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.7 t80 -77.45 -40.32 43.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -88.15 12.34 13.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.423 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 56.4 m-20 -69.95 106.49 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.624 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -102.43 136.36 42.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.61 163.63 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.9 t -86.0 118.34 70.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -113.2 -20.66 11.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 21.3 tpp85 -133.52 144.51 49.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 0.0 110.324 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.44 56.62 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.96 136.1 49.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.68 147.1 32.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -126.34 133.86 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.88 101.28 49.25 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.512 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.93 160.28 40.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.38 122.9 31.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.794 HD12 ' HG2' ' A' ' 73' ' ' GLN . 31.4 mt -87.46 128.39 40.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -135.51 132.94 37.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.92 114.09 4.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.693 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.465 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.6 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -64.16 -44.63 91.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.99 -48.28 80.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.947 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -66.92 -34.99 78.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.653 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 24.6 mt -64.61 -34.86 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -33.9 74.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -75.06 75.05 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -83.06 178.27 8.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.4 ' C ' HG13 ' A' ' 110' ' ' VAL . . . 146.52 97.18 0.2 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.634 1.208 . . . . 0.0 111.018 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.38 34.28 18.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.546 HG21 ' HE2' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -121.81 164.58 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.3 tt -104.91 145.52 30.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.535 ' N ' HD23 ' A' ' 111' ' ' LEU . 33.4 mt-10 -130.03 122.36 28.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.556 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.4 t90 -130.48 150.85 51.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.556 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.07 -177.81 18.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.16 116.78 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.414 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.653 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 3.9 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 27.4 t80 -77.57 101.83 6.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.446 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.1 p -133.6 116.15 15.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.2 mt -109.13 133.79 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.23 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -134.98 111.19 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.43 163.65 27.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 109.372 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -85.69 -25.3 26.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.847 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 17.0 m-80 -120.5 139.74 52.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -133.05 143.5 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 23.6 m-85 -119.92 122.06 40.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.538 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.1 mm? -104.55 130.43 52.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.618 HG22 ' NE2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -119.01 130.39 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.543 ' CE2' HD13 ' A' ' 78' ' ' LEU . 24.9 m-85 -117.22 103.02 52.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 133.76 17.0 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 56' ' ' PRO . 38.5 tttt 39.48 52.98 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.396 1.06 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -112.4 121.88 46.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 108.327 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.99 15.16 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 tp -69.37 135.87 50.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.665 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.7 p -86.79 162.16 17.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HB3' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.59 -28.69 65.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.72 -48.08 75.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.665 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 1.9 m120 -68.19 -44.66 75.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' HA ' HD22 ' A' ' 78' ' ' LEU . . . -64.93 -37.24 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.709 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.22 -38.19 78.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -67.4 -45.81 75.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' ' 35' ' ' LEU . 3.2 mt-30 -70.42 -45.97 64.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.6 mm -61.62 -44.69 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.709 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.3 m -65.31 -39.12 92.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.46 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -81.1 -8.02 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -73.86 118.08 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.607 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 11.3 pt20 -77.93 162.55 26.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.699 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -147.36 160.36 39.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.97 -24.76 12.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.592 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.47 -101.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.592 ' H ' HG23 ' A' ' 39' ' ' THR . 10.7 t-20 -171.45 143.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.699 ' HG3' HG21 ' A' ' 37' ' ' THR . 3.6 mtpm? -91.11 126.98 36.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 tp -103.87 -85.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -103.42 158.69 16.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.76 HG23 HG12 ' A' ' 62' ' ' ILE . 5.0 mt -141.87 130.2 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -126.93 111.77 14.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 25' ' ' LYS . 39.1 mt -121.04 115.01 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 t -134.27 138.55 45.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.238 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -97.05 143.42 27.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 57' ' ' HIS . 11.4 tp10 -140.23 133.9 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.58 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.5 mm? -97.22 134.93 39.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -88.63 156.33 19.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -75.25 -6.8 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -84.64 0.03 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 2.09 89.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.46 125.06 48.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.98 123.86 8.21 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.618 ' NE2' HG22 ' A' ' 17' ' ' THR . 4.8 t-80 -118.48 156.92 28.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.466 HD21 HG23 ' A' ' 46' ' ' ILE . 4.4 tt -132.28 140.25 48.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.41 ' CE1' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -112.81 141.78 46.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.538 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.468 HD12 ' OH ' ' A' ' 18' ' ' TYR . 8.7 mt -142.19 135.59 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 tm? -138.25 110.4 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.76 HG12 HG23 ' A' ' 44' ' ' ILE . 3.7 mt -116.96 149.22 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -135.71 118.64 16.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -91.49 158.26 16.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.25 -34.02 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.54 162.9 22.15 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -58.78 111.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.549 ' HB2' HG21 ' A' ' 39' ' ' THR . 1.9 t80 -88.12 141.25 28.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.35 111.53 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.505 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.1 t -112.91 70.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.248 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.446 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.7 t -94.7 31.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -157.69 125.39 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.553 ' HA ' HD11 ' A' ' 91' ' ' ILE . 19.9 mt-30 -91.48 36.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.415 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 8.6 mtt180 -116.67 -16.34 10.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 9.9 t80 -76.55 -39.41 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CE1' HD21 ' A' ' 16' ' ' LEU . 20.9 m-85 -87.83 12.71 12.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.18 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.415 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.7 m-20 -66.75 106.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -106.71 136.96 45.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 86' ' ' HIS . 2.7 m -122.47 165.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 83' ' ' ARG . 40.1 t -84.79 118.87 71.95 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 -4.49 15.46 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.0 p -113.2 -20.98 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 80' ' ' SER . 5.9 ttm180 -133.77 145.65 50.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.34 54.93 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 109.966 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.24 132.42 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.42 ' CE1' HG11 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -102.17 146.04 28.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.576 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -126.29 137.09 53.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 100.67 53.81 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.609 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.534 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.07 160.75 39.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.33 125.27 34.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' A' ' 73' ' ' GLN . 72.3 mt -88.4 127.52 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -135.42 132.94 38.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.0 113.84 4.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.847 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.447 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.4 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -42.39 89.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -49.45 76.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.18 -35.21 80.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.55 HD11 ' CE2' ' A' ' 116' ' ' PHE . 74.9 mt -68.04 -35.66 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -23.68 61.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -74.91 67.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -83.02 167.51 17.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 144.16 74.57 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 2.1 m-20 77.49 62.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.777 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -140.82 163.39 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.543 HD13 ' CB ' ' A' ' 29' ' ' LEU . 3.7 tt -105.02 114.76 29.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -108.65 135.64 49.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 5.5 t90 -138.49 146.18 41.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.167 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.636 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.54 -176.84 18.71 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -123.98 128.7 49.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.39 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.55 ' CE2' HD11 ' A' ' 104' ' ' ILE . 5.0 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 11.1 t80 -79.21 102.86 8.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.21 110.93 10.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.948 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mt -106.52 134.16 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.45 110.4 9.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.37 163.82 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -86.69 -24.19 25.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.806 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.5 m-80 -114.72 137.03 52.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.062 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.7 m-85 -133.63 136.1 44.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.575 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 51.5 m-85 -120.3 127.7 52.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.691 ' N ' HD22 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -105.36 133.08 50.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.027 HG23 ' CE1' ' A' ' 57' ' ' HIS . 91.5 m -120.75 117.93 28.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.366 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.643 ' CE2' HD13 ' A' ' 78' ' ' LEU . 13.4 m-85 -109.78 102.97 52.14 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.96 136.44 20.49 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.54 1.811 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.6 tttp 39.73 48.62 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.195 . . . . 0.0 109.376 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.2 t -106.4 118.61 37.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 108.312 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.11 15.29 6.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 HD22 ' A' ' 78' ' ' LEU . 22.5 tp -65.85 137.2 57.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.234 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.71 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 9.8 p -83.83 163.94 19.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.58 ' CG ' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.82 -30.13 66.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -66.52 -42.46 87.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 0.0 110.321 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.71 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -71.54 -42.89 67.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.542 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.78 -40.75 79.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.637 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.5 tm? -69.2 -41.69 76.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 17.9 t -67.43 -45.88 74.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.639 ' O ' HD13 ' A' ' 35' ' ' LEU . 34.6 mt-30 -66.76 -48.27 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.447 HG13 HD13 ' A' ' 60' ' ' ILE . 13.2 mm -62.99 -45.86 97.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.637 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.9 m -63.77 -38.04 89.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.404 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.4 m120 -81.12 -10.02 59.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.62 118.95 18.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.636 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -81.46 163.02 23.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.584 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -146.67 157.08 48.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.48 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.03 -2.7 12.88 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.454 1.765 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.592 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -116.64 -107.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.592 ' N ' ' OG1' ' A' ' 39' ' ' THR . 10.1 t-20 -169.52 139.77 2.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HG3' HG21 ' A' ' 37' ' ' THR . 9.3 mttp -90.92 152.34 20.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 65' ' ' GLU . 6.0 mp -130.77 -85.46 0.52 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 41.6 t80 -102.38 150.73 23.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.647 HD12 ' CE3' ' A' ' 113' ' ' TRP . 81.1 mt -140.06 116.75 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -116.95 120.74 39.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 29' ' ' LEU . 54.2 mt -119.61 116.26 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.34 139.1 53.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 108.253 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HA ' HD22 ' A' ' 58' ' ' LEU . 1.5 ttt180 -96.88 144.09 27.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 26.0 tt0 -134.31 134.24 41.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -96.61 135.19 38.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -91.65 155.75 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 109.663 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -73.47 -6.81 48.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -88.35 -0.72 57.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.96 6.92 86.23 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 20.0 pt-20 -96.11 129.94 32.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.36 0.683 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.11 123.47 7.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 1.027 ' CE1' HG23 ' A' ' 17' ' ' THR . 7.9 t60 -111.76 150.44 30.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -126.46 141.59 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.894 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -122.32 146.26 47.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.531 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.616 HD12 ' OH ' ' A' ' 18' ' ' TYR . 41.3 mt -140.73 140.39 33.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.575 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.57 110.76 7.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.491 HD11 ' CG2' ' A' ' 60' ' ' ILE . 2.2 mt -120.37 153.23 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.582 ' NE2' ' CG ' ' A' ' 116' ' ' PHE . 1.0 OUTLIER -135.71 125.87 26.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.245 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -101.9 157.76 16.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.528 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 1.1 tm-20 -60.67 -34.06 73.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.69 157.86 21.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -59.25 117.1 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 0.816 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.434 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 4.4 t80 -92.27 142.54 27.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -100.47 106.54 18.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.921 ' SG ' HD13 ' A' ' 91' ' ' ILE . 7.3 t -101.68 68.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.332 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.4 t -94.87 30.52 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -163.49 116.12 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.563 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -84.67 44.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 2.4 mmm180 -117.85 -19.83 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.636 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.6 t80 -77.03 -39.48 49.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.512 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.2 m-85 -88.26 12.47 13.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.42 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.1 m-20 -67.76 106.14 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.643 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -103.58 136.09 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.59 163.62 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 83' ' ' ARG . 22.8 t -86.12 118.36 70.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.446 1.761 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.84 -20.7 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 16.8 ttt180 -133.6 144.26 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.42 57.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.96 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.74 135.74 48.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.75 147.0 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -126.42 133.01 51.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -107.97 102.02 43.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.444 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.07 157.42 42.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.386 1.729 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.92 123.43 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.921 HD13 ' SG ' ' A' ' 70' ' ' CYS . 11.8 mt -86.87 128.27 39.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -135.19 132.98 38.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.56 123.12 7.83 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.806 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.538 0.787 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.518 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 18.0 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -56.7 -40.26 75.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -45.44 85.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -71.33 -33.82 69.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 19.3 mt -59.98 -32.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.53 -29.87 70.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -74.16 71.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.06 -174.63 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.28 83.94 0.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.65 76.11 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 0.768 . . . . 0.0 109.249 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -140.9 163.4 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.45 ' N ' HG23 ' A' ' 110' ' ' VAL . 5.9 tt -104.77 128.45 52.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.42 ' N ' HD23 ' A' ' 111' ' ' LEU . 3.5 tt0 -106.77 125.04 50.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.647 ' CE3' HD12 ' A' ' 44' ' ' ILE . 11.0 t90 -141.23 138.14 33.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.69 176.37 29.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -125.39 127.44 46.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.582 ' CG ' ' NE2' ' A' ' 63' ' ' GLN . 7.3 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 16.1 t80 -74.01 102.59 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.404 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.8 OUTLIER -132.62 116.42 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.2 mt -107.18 135.14 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HE2' HD21 ' A' ' 69' ' ' ASN . 0.1 OUTLIER -134.84 110.97 9.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.53 27.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 64' ' ' PHE . 19.6 ttpt -85.78 -31.64 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.38 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.732 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.8 m-80 -114.63 141.85 47.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.4 m-85 -132.96 142.33 48.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.573 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 20.4 m-85 -120.08 121.9 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.629 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.4 mm? -104.77 136.32 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.534 HG23 ' NE2' ' A' ' 57' ' ' HIS . 16.8 m -122.55 120.04 32.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.857 ' OH ' HD12 ' A' ' 60' ' ' ILE . 21.1 m-85 -106.85 102.2 41.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.97 132.61 15.67 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.452 1.764 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 13.2 pttt 37.35 52.16 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.7 t -106.92 125.37 50.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.81 12.93 9.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -71.16 135.51 47.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.708 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.8 p -86.92 161.2 18.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.143 . . . . 0.0 110.454 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB3' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.17 -28.75 65.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -47.74 72.74 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.708 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.6 m120 -66.32 -43.92 84.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -68.85 -34.03 74.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 1.095 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.571 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.26 -43.02 74.77 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.418 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -69.03 -44.93 71.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.11 . . . . 0.0 110.093 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.573 ' CD ' HD23 ' A' ' 78' ' ' LEU . 57.4 mt-30 -66.05 -48.83 69.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.463 HG21 HD11 ' A' ' 62' ' ' ILE . 3.6 mm -63.46 -45.68 97.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.571 ' OG1' HD22 ' A' ' 29' ' ' LEU . 52.3 m -65.05 -35.35 80.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.3 m120 -86.78 -4.53 59.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 75' ' ' PHE . 1.8 tp -74.91 141.06 44.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.7 OUTLIER -90.79 161.41 15.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.471 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -149.58 150.63 31.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.06 -3.76 14.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.529 1.805 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.643 HG21 ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -118.05 -107.76 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.489 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.587 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t-20 -168.2 134.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.396 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HG3' HG21 ' A' ' 37' ' ' THR . 7.3 mtpp -84.58 118.44 24.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -90.63 -59.96 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 62' ' ' ILE . 66.1 t80 -137.44 157.69 46.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.03 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mt -137.96 128.37 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -123.01 123.95 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.58 HG23 HD21 ' A' ' 58' ' ' LEU . 18.3 mt -128.74 116.95 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.05 137.7 49.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.448 ' CD ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -96.82 143.77 27.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 57' ' ' HIS . 7.4 tp10 -143.07 133.88 25.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -97.7 135.13 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -87.75 156.1 19.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.74 -6.83 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.79 0.22 53.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.86 4.08 88.92 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -96.35 130.15 31.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.452 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.7 Cg_endo -74.92 123.58 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.534 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.7 t-80 -117.18 154.42 31.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.604 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.58 HD21 HG23 ' A' ' 46' ' ' ILE . 4.1 tt -136.57 142.11 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.446 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -117.53 146.01 43.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.645 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.857 HD12 ' OH ' ' A' ' 18' ' ' TYR . 19.0 mt -142.06 137.19 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.573 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -138.49 110.19 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.532 ' N ' HD22 ' A' ' 61' ' ' LEU . 5.3 mt -117.63 150.37 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.578 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 1.2 pp0? -136.07 117.39 14.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.384 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.463 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 51.8 m-85 -91.14 155.79 18.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.723 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.29 -33.62 73.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.344 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.21 162.84 18.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -59.21 112.44 1.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 0.792 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.643 ' HB2' HG21 ' A' ' 39' ' ' THR . 1.2 t80 -90.07 135.54 33.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.494 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 4.6 t-20 -96.88 120.05 36.49 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.543 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.2 t -119.36 69.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 108.361 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.404 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.5 t -93.93 30.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -159.22 127.93 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.699 ' HA ' HD11 ' A' ' 91' ' ' ILE . 7.3 mt-30 -88.59 31.94 0.81 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.474 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 4.9 mmt85 -114.32 -9.6 12.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.0 t80 -77.42 -39.4 47.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.629 ' CE1' HD21 ' A' ' 16' ' ' LEU . 36.0 m-85 -91.7 14.5 15.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.474 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 60.3 m-20 -65.66 106.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.573 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.1 mt -111.13 137.73 48.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.552 HG11 ' CE1' ' A' ' 86' ' ' HIS . 3.7 m -122.57 164.2 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 14.8 t -85.55 118.42 70.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.26 12.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.458 1.768 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.8 p -114.45 -20.61 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' SER . 1.4 ttt180 -133.53 145.38 50.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.69 54.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.72 133.82 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.552 ' CE1' HG11 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -101.37 146.67 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.5 m-85 -126.29 137.75 53.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -121.83 100.03 43.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.57 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.06 166.19 29.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.969 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.83 127.45 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 73' ' ' GLN . 14.2 mt -88.29 130.81 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.206 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -135.28 132.69 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.57 113.99 4.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.16 . . . . 0.0 111.044 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.732 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.464 0.744 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.431 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 13.6 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -58.65 -45.87 88.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -50.35 73.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.507 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 15.7 t80 -62.74 -33.38 75.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.561 HD11 ' CE2' ' A' ' 116' ' ' PHE . 45.2 mt -67.38 -36.53 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.67 -20.55 64.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -74.9 68.58 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.63 163.96 21.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 136.97 98.65 0.51 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 60.4 m-20 63.14 49.77 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.529 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -136.07 166.57 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -129.87 114.8 16.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.582 ' N ' HD23 ' A' ' 111' ' ' LEU . 2.1 pm0 -115.69 146.03 42.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.217 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 23.4 t90 -129.72 154.26 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.606 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 70.4 -172.84 41.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -124.16 122.75 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 110.358 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.578 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 19.9 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.468 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 16.6 t80 -78.41 103.71 8.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.54 110.97 10.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.5 mt -106.32 134.23 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.53 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -135.49 109.69 8.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.29 164.1 27.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -24.96 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.209 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.976 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.6 m-80 -113.87 138.79 49.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -133.75 135.51 43.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.596 ' CE1' ' HB2' ' A' ' 94' ' ' ALA . 35.5 m-85 -120.69 122.71 41.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.68 138.33 40.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.485 HG23 ' NE2' ' A' ' 57' ' ' HIS . 15.6 m -125.95 119.78 28.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.566 ' OH ' HD12 ' A' ' 60' ' ' ILE . 12.4 m-85 -109.89 102.32 50.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 137.54 21.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER 38.32 46.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.3 t -105.52 120.96 42.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.409 1.068 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.99 14.96 6.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 tp -70.29 135.51 48.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.673 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -86.49 162.61 17.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.67 -28.93 65.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -47.95 75.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.673 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.1 m120 -67.77 -44.09 78.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.521 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -65.84 -38.84 89.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.745 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.5 tm? -69.24 -37.16 77.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.43 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 78.7 p -67.88 -45.84 73.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.583 ' O ' HD13 ' A' ' 35' ' ' LEU . 41.0 mt-30 -71.16 -46.54 61.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 10.0 mm -61.75 -46.79 95.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.745 ' HG1' HD22 ' A' ' 29' ' ' LEU . 69.2 m -63.76 -35.27 80.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 30' ' ' SER . 61.1 m-20 -83.07 -10.4 58.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.63 118.78 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.661 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 4.1 mt-30 -82.07 162.24 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.713 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.44 157.15 45.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.07 -2.98 13.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.713 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.2 OUTLIER -113.49 -108.74 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.633 ' H ' HG23 ' A' ' 39' ' ' THR . 0.8 OUTLIER -170.07 133.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 6.7 mtpp -87.52 126.95 35.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.514 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.7 mp -103.27 -87.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.482 ' HB2' ' CA ' ' A' ' 116' ' ' PHE . 57.2 t80 -102.71 156.0 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.632 HD12 ' CE3' ' A' ' 113' ' ' TRP . 82.9 mt -139.42 115.17 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.739 ' NZ ' HG21 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -111.35 126.77 55.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.563 HG21 ' HB2' ' A' ' 25' ' ' LYS . 54.5 mt -129.26 115.46 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.9 t -123.82 136.91 54.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 108.327 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -101.48 142.65 32.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' A' ' 50' ' ' LEU . 8.6 tp10 -145.12 134.37 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.858 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.2 mm? -98.57 134.76 41.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 38.7 m170 -80.83 153.58 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.05 -6.96 50.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.612 1.195 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -84.69 -0.49 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.62 3.07 84.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 20.8 pt-20 -96.63 132.78 25.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.858 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 131.94 14.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.485 ' NE2' HG23 ' A' ' 17' ' ' THR . 6.3 t-80 -120.71 153.21 37.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.637 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.856 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -131.77 138.81 48.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.856 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -121.01 135.46 55.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.617 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.566 HD12 ' OH ' ' A' ' 18' ' ' TYR . 15.3 mt -136.47 137.06 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.57 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.4 tm? -138.84 110.6 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.535 HG23 HG12 ' A' ' 44' ' ' ILE . 3.4 mt -114.99 151.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.717 ' NE2' ' CG ' ' A' ' 116' ' ' PHE . 1.2 pp0? -135.78 129.62 32.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -103.94 156.51 17.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -61.48 -33.85 74.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.55 158.54 19.92 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -59.9 118.89 6.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.594 ' HB2' HG21 ' A' ' 39' ' ' THR . 8.6 t80 -98.71 144.72 27.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.53 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.5 t-20 -102.88 117.24 34.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.687 ' SG ' HD13 ' A' ' 91' ' ' ILE . 5.9 t -111.53 70.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.458 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.6 OUTLIER -94.26 30.2 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -163.02 117.32 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -87.05 44.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.405 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 3.8 mtp85 -118.33 -17.32 9.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.661 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 24.5 t80 -77.05 -39.15 51.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.586 ' O ' HD12 ' A' ' 78' ' ' LEU . 16.3 m-85 -87.85 12.8 12.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.405 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 67.0 m-20 -66.93 105.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -107.04 139.5 41.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 m -123.25 163.92 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.4 t -85.78 118.83 71.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.415 1.745 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.9 p -111.59 -20.61 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.43 143.01 48.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.03 56.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.0 143.25 50.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.22 147.92 30.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.534 1.146 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 12.1 m-85 -126.17 131.55 52.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.62 101.68 44.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.0 151.41 39.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.813 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -87.66 125.53 34.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.687 HD13 ' SG ' ' A' ' 70' ' ' CYS . 8.1 mt -89.44 129.26 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.3 133.12 38.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.51 122.56 6.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.976 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.578 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 5.7 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -55.16 -40.82 71.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.82 85.21 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.957 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -71.2 -32.96 69.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 101' ' ' LYS . 90.7 mt -59.75 -34.36 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -32.27 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -72.09 66.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.11 -177.82 6.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.37 91.23 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 60.41 35.27 20.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.739 HG21 ' NZ ' ' A' ' 45' ' ' LYS . 1.3 m -112.43 164.41 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 112' ' ' GLU . 9.9 tt -105.41 148.98 26.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.638 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -135.29 131.67 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.632 ' CE3' HD12 ' A' ' 44' ' ' ILE . 5.2 t90 -141.23 154.53 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 108.028 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.583 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 64.64 177.71 5.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.7 m -126.44 130.1 50.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 0.818 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.717 ' CG ' ' NE2' ' A' ' 63' ' ' GLN . 4.9 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 9.8 t80 -78.75 102.42 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -132.7 113.67 13.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' A' ' 7' ' ' PHE . 27.9 mt -108.53 133.8 52.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.52 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -134.99 111.18 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.24 28.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -84.31 -26.82 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.891 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 22.7 m-80 -118.37 142.18 47.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.52 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.9 m-85 -131.79 142.46 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.731 ' CE1' HD23 ' A' ' 61' ' ' LEU . 31.8 m-85 -120.11 123.66 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.2 mm? -104.94 132.94 50.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.787 HG23 ' NE2' ' A' ' 57' ' ' HIS . 99.3 m -125.14 122.27 36.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.439 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.664 ' HE2' HD13 ' A' ' 78' ' ' LEU . 11.9 m-85 -108.17 102.81 47.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 133.12 16.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' CG ' ' HD2' ' A' ' 56' ' ' PRO . 6.3 tttp 39.62 51.46 2.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -111.79 125.53 54.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.241 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.07 15.29 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.46 135.52 48.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.415 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.5 p -86.96 164.88 16.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.56 -28.89 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.69 -48.25 72.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.428 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 8.2 m120 -66.35 -44.81 82.2 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.506 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.81 -34.8 77.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.62 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.1 tm? -69.1 -43.16 75.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.412 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 3.4 t -67.84 -45.73 73.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.951 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.492 ' O ' HD13 ' A' ' 35' ' ' LEU . 6.2 mt-30 -66.74 -46.8 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.2 mm -64.65 -45.95 93.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.62 ' HG1' HD22 ' A' ' 29' ' ' LEU . 54.0 m -63.22 -39.32 94.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.2 m120 -79.78 -9.29 59.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.44 117.96 16.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.644 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -79.19 161.06 26.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.684 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.79 154.96 44.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.465 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.478 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.06 -3.72 14.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.544 1.812 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.684 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -111.37 -108.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.3 OUTLIER -169.59 132.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.529 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.2 mtpp -90.18 124.44 34.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.672 HD11 ' N ' ' A' ' 65' ' ' GLU . 4.4 mp -104.63 -84.46 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' A' ' 116' ' ' PHE . 53.3 t80 -102.75 152.1 21.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 62' ' ' ILE . 67.8 mt -141.22 116.71 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -113.0 128.33 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.23 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 29' ' ' LEU . 62.4 mt -128.67 116.29 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -127.5 135.04 49.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.17 . . . . 0.0 108.287 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -96.52 143.7 27.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.387 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 57' ' ' HIS . 8.5 tp10 -141.9 133.46 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -97.87 135.03 40.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.414 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 52.3 m170 -86.44 153.64 21.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.42 -6.74 48.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -86.15 0.33 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.42 4.87 87.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 12.8 pt-20 -96.26 126.94 42.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.556 0.798 . . . . 0.0 110.237 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.07 123.63 7.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.787 ' NE2' HG23 ' A' ' 17' ' ' THR . 2.7 t-80 -119.89 155.52 32.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.521 HD21 HG23 ' A' ' 46' ' ' ILE . 4.2 tt -136.23 141.8 43.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -116.25 146.56 42.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.582 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.651 HD12 ' OH ' ' A' ' 18' ' ' TYR . 8.3 mt -142.04 139.97 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.731 HD23 ' CE1' ' A' ' 15' ' ' PHE . 1.2 tm? -138.37 110.55 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.645 HG23 HG12 ' A' ' 44' ' ' ILE . 2.6 mt -119.63 154.21 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 0.4 OUTLIER -133.31 142.08 48.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.506 ' CD1' HG23 ' A' ' 39' ' ' THR . 88.0 m-85 -118.26 156.24 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.672 ' N ' HD11 ' A' ' 42' ' ' LEU . 1.4 tm-20 -66.21 -33.25 75.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.03 154.01 17.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.162 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -58.7 112.21 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.794 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.52 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 5.1 t80 -88.26 142.25 27.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.52 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 4.9 t-20 -104.06 109.34 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.601 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.4 t -108.2 70.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.356 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 2.3 t -96.72 32.19 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -168.38 113.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -76.42 54.81 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.404 ' HA ' ' OD2' ' A' ' 77' ' ' ASP . 11.0 mmt180 -119.76 -24.52 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.623 1.202 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.644 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.6 t80 -76.5 -39.49 52.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -87.93 13.14 11.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 70.0 m-20 -66.6 107.46 2.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.664 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -108.81 136.18 48.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 m -128.45 164.77 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 83' ' ' ARG . 44.3 t -85.14 118.92 71.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.5 20.14 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -18.32 13.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 80' ' ' SER . 4.6 ttp180 -132.91 143.44 49.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.9 t -77.37 55.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.26 136.76 51.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.45 143.33 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -126.53 133.94 51.0 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.4 ' ND1' ' C ' ' A' ' 88' ' ' HIS . 0.2 OUTLIER -113.66 101.61 53.93 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.599 1.187 . . . . 0.0 109.585 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.04 161.93 37.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -87.12 124.99 33.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.601 HD13 ' SG ' ' A' ' 70' ' ' CYS . 10.4 mt -92.29 130.92 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.8 mm-40 -135.11 133.22 39.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.74 114.3 4.51 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.891 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.58 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 19.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -61.26 -42.51 98.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -44.24 84.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.429 1.081 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.474 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 43.4 t80 -71.18 -33.82 70.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.417 ' CD1' ' CD1' ' A' ' 116' ' ' PHE . 71.5 mt -65.78 -40.02 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -19.68 65.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -74.88 67.03 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.84 173.05 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 127.98 98.56 0.97 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.8 OUTLIER 62.53 45.57 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.458 HG21 ' CE ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -132.71 161.85 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.576 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.6 tt -104.88 126.56 52.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.576 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.3 mp0 -116.87 126.19 52.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.426 ' CE3' HD12 ' A' ' 44' ' ' ILE . 11.9 t90 -133.87 137.17 44.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.12 -176.83 46.4 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -125.29 137.38 54.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 0.735 . . . . 0.0 110.424 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.58 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 27.4 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.307 -0.256 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 9.9 t80 -74.27 102.39 4.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.409 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -132.73 115.32 15.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.448 HD11 ' CE1' ' A' ' 7' ' ' PHE . 22.0 mt -107.37 133.6 51.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -134.78 111.81 10.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.19 163.5 28.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -33.98 26.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.905 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.0 m-80 -114.49 144.91 42.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 9.1 m-85 -132.16 141.68 49.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.559 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 22.5 m-85 -118.33 121.12 39.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.508 ' N ' HD22 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -104.63 130.05 52.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 m -118.8 127.05 53.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.864 ' OH ' HD12 ' A' ' 60' ' ' ILE . 2.7 m-85 -117.39 103.14 51.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.512 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.93 135.33 19.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 37.77 49.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.4 t -103.32 122.73 45.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 108.285 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.77 13.62 8.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -71.04 135.01 47.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.63 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.2 p -86.49 156.38 20.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.482 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.02 -29.13 70.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -47.77 74.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.63 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.2 m120 -67.68 -43.85 79.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.12 -37.23 83.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 1.061 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.632 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.4 tm? -69.04 -41.1 78.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 1.1 p -68.55 -45.86 71.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.527 ' O ' HD13 ' A' ' 35' ' ' LEU . 8.2 mt-30 -67.74 -46.56 71.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm -63.84 -46.18 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.632 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.4 m -63.78 -38.39 90.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.6 m120 -80.99 -9.04 59.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.7 118.64 17.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.634 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 7.9 tt0 -80.18 162.53 24.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.564 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -147.15 157.4 46.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.393 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.755 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.61 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -115.66 -107.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.61 ' H ' HG23 ' A' ' 39' ' ' THR . 10.3 t-20 -168.43 137.12 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HG3' HG21 ' A' ' 37' ' ' THR . 7.4 mtpp -90.27 121.2 32.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.38 -86.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' C ' HG13 ' A' ' 44' ' ' ILE . 52.2 t80 -103.42 157.69 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.401 HG13 ' C ' ' A' ' 43' ' ' PHE . 75.3 mt -142.16 116.58 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HE2' HG21 ' A' ' 110' ' ' VAL . 3.0 tptt -111.85 124.37 52.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.473 HG23 HG12 ' A' ' 60' ' ' ILE . 39.4 mt -128.78 115.92 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -127.43 137.95 52.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 108.297 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.577 ' HD2' HD23 ' A' ' 58' ' ' LEU . 3.1 ttt-85 -99.96 140.8 33.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 50' ' ' LEU . 11.6 tp10 -149.43 133.53 17.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 9.8 mp -98.97 135.42 40.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.543 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 58.5 m170 -80.74 156.06 26.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.5 -6.59 31.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -82.33 0.87 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.08 2.22 90.59 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.402 1.064 . . . . 0.0 110.987 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 11.4 pt-20 -96.37 134.14 23.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.437 0.727 . . . . 0.0 110.361 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.0 123.46 7.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.419 1.747 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.543 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 5.3 t-80 -111.74 154.93 24.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.638 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.89 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -133.24 141.37 48.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.89 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -121.31 141.56 50.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.555 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.864 HD12 ' OH ' ' A' ' 18' ' ' TYR . 10.7 mt -142.21 136.77 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.63 109.98 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.502 ' N ' HD22 ' A' ' 61' ' ' LEU . 4.3 mt -115.7 150.62 17.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.215 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.55 ' HG2' ' CD1' ' A' ' 116' ' ' PHE . 1.2 pp0? -135.67 117.19 14.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -90.97 156.18 18.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.94 74.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.75 157.45 19.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -58.93 114.24 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.577 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.6 t80 -92.34 141.21 28.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.512 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.3 t-20 -101.89 107.9 19.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.1 t -104.98 70.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.365 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.409 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.3 t -93.9 30.38 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.422 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -164.29 118.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.893 ' HG2' HD12 ' A' ' 91' ' ' ILE . 27.1 mt-30 -84.58 46.28 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 34.7 mtt180 -117.67 -20.35 8.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.634 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.1 t80 -76.71 -39.61 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.94 12.84 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.423 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.9 m-20 -66.68 110.9 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.532 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -110.92 137.16 48.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.545 HG12 ' CG ' ' A' ' 86' ' ' HIS . 5.2 m -126.36 163.88 27.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 7.2 t -85.72 118.74 71.16 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.55 12.69 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.4 p -113.56 -20.73 11.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.472 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 85' ' ' ALA . 1.6 ttp85 -133.65 144.24 49.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.09 55.1 1.11 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 83' ' ' ARG . . . -128.77 130.66 47.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.545 ' CG ' HG12 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -100.71 146.28 27.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.556 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 15.7 m-85 -126.23 131.26 51.99 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.4 100.55 50.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.626 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -74.96 162.86 36.52 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -87.94 124.43 33.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.893 HD12 ' HG2' ' A' ' 73' ' ' GLN . 9.2 mt -91.35 130.85 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -135.29 133.3 38.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.229 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.8 114.24 4.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.905 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.48 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.5 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -61.16 -41.8 97.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -54.22 49.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -62.44 -33.68 75.3 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 101' ' ' LYS . 32.6 mt -60.83 -49.44 84.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -25.84 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.223 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.475 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -75.08 67.8 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -82.84 173.63 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 151.81 89.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 1.2 m-20 62.67 34.32 14.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 0.812 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.402 HG21 ' HE2' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -117.84 157.31 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.889 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.6 tt -105.12 138.9 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.889 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.2 pm0 -134.84 141.23 46.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.68 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 13.5 t90 -134.2 154.12 51.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.68 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.18 -177.02 21.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -123.93 127.18 47.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.55 ' CD1' ' HG2' ' A' ' 63' ' ' GLN . 19.0 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 9.3 t80 -74.47 101.56 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.9 t -133.56 119.22 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 7' ' ' PHE . 38.2 mt -109.39 133.76 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -134.24 110.32 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.51 27.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -83.42 -34.07 25.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.894 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.2 m-80 -115.14 145.52 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 8.5 m-85 -133.29 142.29 48.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.57 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 19.0 m-85 -118.97 123.08 43.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.741 HD23 HG22 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -106.13 136.0 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.185 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 m -123.9 123.32 40.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.757 ' CE1' HD12 ' A' ' 60' ' ' ILE . 9.2 m-85 -111.63 102.04 52.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.5 Cg_endo -75.03 134.94 18.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.2 ttmm 39.77 56.33 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.5 t -114.65 125.05 53.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 108.303 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -86.6 13.52 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.98 133.89 46.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.497 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.9 p -87.1 164.19 16.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HB2' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.18 -29.65 66.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.59 -45.27 79.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.497 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.1 m120 -69.69 -42.93 73.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -69.13 -35.86 76.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.606 ' HG ' HD22 ' A' ' 111' ' ' LEU . 1.2 tm? -68.65 -47.12 67.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 m -67.0 -45.36 77.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.4 ' CB ' HD23 ' A' ' 78' ' ' LEU . 59.4 mt-30 -64.04 -35.94 82.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.8 mm -65.99 -34.42 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.547 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.5 -40.31 92.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -73.52 -13.41 61.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -73.43 112.37 9.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.624 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 5.4 pt20 -83.64 162.16 20.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.571 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.42 156.33 45.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.366 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.88 -3.17 13.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.047 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.607 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -115.86 -107.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.607 ' N ' ' OG1' ' A' ' 39' ' ' THR . 11.9 t-20 -168.52 142.6 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -90.57 125.43 35.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 tp -103.4 -83.93 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -103.51 153.0 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -137.23 118.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' CE ' HG21 ' A' ' 110' ' ' VAL . 8.3 tptt -118.38 119.5 34.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.643 1.215 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.51 HG22 ' HB2' ' A' ' 25' ' ' LYS . 47.3 mt -127.5 115.12 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.392 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -127.9 138.56 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.47 ' HA ' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -97.04 142.65 28.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.177 . . . . 0.0 110.327 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.532 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 9.0 tp10 -142.47 134.39 27.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.811 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.8 mm? -98.29 135.04 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 38.2 m170 -82.44 154.33 25.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.96 -6.87 49.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -85.84 -0.69 56.02 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.372 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.22 4.4 83.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.046 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 12.9 pt-20 -96.55 131.41 28.33 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.811 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.95 124.17 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.594 1.839 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.532 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 3.7 t-80 -114.51 155.2 26.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.554 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.84 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -132.01 139.8 48.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.84 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -118.3 142.57 47.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.757 HD12 ' CE1' ' A' ' 18' ' ' TYR . 73.0 mt -142.46 137.19 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.57 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.61 110.66 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.562 HD12 HD21 ' A' ' 16' ' ' LEU . 2.7 mt -117.25 147.66 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.243 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.572 ' NE2' ' HA ' ' A' ' 116' ' ' PHE . 1.2 pt20 -136.35 118.23 15.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 35.2 m-85 -91.41 157.55 17.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -33.61 73.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.24 159.93 19.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -58.87 118.15 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.242 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.548 ' HB2' HG21 ' A' ' 39' ' ' THR . 4.0 t80 -96.77 141.56 29.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.432 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 4.1 t-20 -100.34 107.0 18.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.4 t -103.86 69.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 108.245 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.4 t -95.04 30.84 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -162.05 122.8 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 12.8 mt-30 -87.54 41.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -116.27 -18.99 10.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.624 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.3 t80 -77.05 -39.41 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.507 ' CD2' HG12 ' A' ' 91' ' ' ILE . 21.2 m-85 -87.99 12.82 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.1 m-20 -66.9 108.21 2.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.516 ' CD1' ' OH ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -109.02 137.14 47.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 m -121.76 163.83 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.0 t -85.78 119.26 71.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.057 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -6.09 17.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.782 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.97 -20.28 12.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.7 OUTLIER -132.91 142.35 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.9 t -76.15 56.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.25 144.58 51.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.34 146.92 32.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.585 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 12.6 m-85 -126.36 131.47 51.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.72 100.34 42.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 158.88 41.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.613 1.849 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -87.3 115.63 24.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.551 HG21 ' SG ' ' A' ' 70' ' ' CYS . 10.0 mt -85.34 130.33 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.5 133.09 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.3 113.89 3.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.754 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.515 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.0 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -40.21 96.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -47.14 82.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.455 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 16.4 t80 -68.24 -41.3 81.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.03 -26.19 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -81.65 -39.04 24.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.733 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -73.28 63.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.95 -166.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.55 100.69 0.83 Allowed Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.59 31.62 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 0.702 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.452 HG21 ' CE ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -116.09 166.03 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.18 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.726 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.6 tt -104.64 135.43 46.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.726 ' N ' HD23 ' A' ' 111' ' ' LEU . 3.2 tt0 -123.44 132.21 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.654 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 9.6 t90 -141.34 149.28 40.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 108.01 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.654 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.85 178.74 10.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.67 129.5 51.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 0.807 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.572 ' HA ' ' NE2' ' A' ' 63' ' ' GLN . 14.6 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 8' ' ' SER . 1.3 tmm_? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 11.0 t80 -76.71 102.78 6.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' NH1' ' A' ' 6' ' ' ARG . 0.8 OUTLIER -132.6 113.96 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.941 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 7' ' ' PHE . 18.2 mt -106.55 134.28 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -134.51 111.24 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.22 163.63 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -33.67 24.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.958 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.3 m-80 -114.67 146.74 40.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.423 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 13.1 m-85 -133.52 142.34 48.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 61' ' ' LEU . 19.0 m-85 -120.25 119.88 34.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.55 ' N ' HD22 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -104.41 130.66 52.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -118.15 134.25 55.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.473 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.711 ' OH ' HD12 ' A' ' 60' ' ' ILE . 1.1 m-85 -126.48 102.15 26.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.98 140.57 25.67 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.788 . . . . 0.0 111.064 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 18.4 ptmt 39.25 36.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.519 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.6 t -92.4 121.24 33.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 108.253 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.64 12.71 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 23' ' ' LEU . 17.0 tp -71.16 134.28 46.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.41 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.1 p -86.53 160.82 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -67.75 -28.75 67.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.48 -48.66 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.41 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 10.0 m120 -65.23 -44.27 88.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.37 -32.43 71.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.228 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.647 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -69.38 -44.3 71.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.432 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -69.49 -43.93 72.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.432 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 32.3 mt-30 -65.89 -48.24 72.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 9.9 mm -65.48 -45.35 93.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 42.9 m -62.69 -38.34 90.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.25 -10.26 59.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.592 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.53 118.43 17.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 16.2 mt-30 -81.43 162.54 23.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.497 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.11 158.81 44.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.493 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -74.96 -6.74 18.46 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.6 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.45 -105.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.6 ' H ' HG23 ' A' ' 39' ' ' THR . 6.9 t-20 -172.43 141.07 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HZ3' ' CG2' ' A' ' 62' ' ' ILE . 4.8 mtpm? -89.7 116.72 28.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.592 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -84.11 -64.55 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.228 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.666 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 21.5 t80 -137.29 164.38 28.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.666 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 5.4 mt -135.91 124.62 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' CE ' HG21 ' A' ' 110' ' ' VAL . 2.5 tptt -116.37 108.17 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 29' ' ' LEU . 79.9 mt -115.64 115.54 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -128.78 139.88 51.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.466 ' HA ' HD22 ' A' ' 58' ' ' LEU . 4.2 ttp85 -96.57 142.83 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 110.361 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 7.3 tt0 -143.96 134.45 24.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.3 mm? -98.02 135.1 40.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.49 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 40.7 m170 -85.51 154.63 21.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.11 -6.64 50.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -82.74 2.18 35.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.79 -1.21 89.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 16.2 pt-20 -96.75 138.8 21.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 110.256 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.649 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.01 131.59 14.45 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.49 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 4.7 t-80 -117.54 154.99 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.656 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.878 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -133.17 140.64 47.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.878 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -118.97 143.93 46.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.645 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.711 HD12 ' OH ' ' A' ' 18' ' ' TYR . 5.2 mt -142.53 134.89 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 1.2 tm? -138.41 110.19 7.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.385 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.49 HG12 HG23 ' A' ' 44' ' ' ILE . 2.1 mt -114.86 150.19 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.263 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 1.2 pp0? -136.26 116.72 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -91.52 156.19 17.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.592 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -62.29 -33.6 74.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.61 159.59 20.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -58.92 120.17 8.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.228 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.477 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 4.5 t80 -100.94 142.37 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.416 HD22 ' N ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -100.78 117.47 34.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.448 ' HG ' ' HE2' ' A' ' 76' ' ' PHE . 6.2 t -114.76 70.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.1 t -93.09 29.48 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -161.04 119.73 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.887 ' HG2' HD12 ' A' ' 91' ' ' ILE . 32.2 mt-30 -86.59 42.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 43.7 mtt85 -117.48 -18.95 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 13.9 t80 -76.85 -39.52 50.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.448 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 22.7 m-85 -87.85 12.4 13.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.6 m-20 -67.71 110.46 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.527 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -105.66 136.23 45.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.1 m -124.64 163.44 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 7.7 t -86.39 118.29 70.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -2.28 12.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.0 p -113.59 -20.61 11.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 110.388 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' SER . 17.9 ttt180 -133.62 144.04 48.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.01 56.93 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.7 131.4 44.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -102.25 146.13 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.531 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.5 m-85 -126.52 132.12 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.66 101.45 43.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.94 159.91 41.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -87.52 121.49 30.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.887 HD12 ' HG2' ' A' ' 73' ' ' GLN . 12.4 mt -87.79 130.43 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.27 132.97 38.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.5 114.18 4.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.958 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.53 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.1 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -62.42 -42.2 99.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.1 t -57.68 -45.82 85.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.908 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -69.08 -35.69 76.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.533 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 56.2 mt -65.77 -38.2 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 109.382 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -30.47 70.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -75.02 73.66 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -82.77 167.3 18.27 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 151.52 94.15 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 7.1 m-20 64.6 32.7 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -121.96 162.18 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 112' ' ' GLU . 8.0 tt -105.05 145.57 30.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.175 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.768 ' N ' HD23 ' A' ' 111' ' ' LEU . 42.9 mt-10 -130.78 125.5 33.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.654 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.3 t90 -130.21 151.32 50.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 108.068 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.654 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.51 -177.76 16.28 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.575 1.172 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -123.41 117.42 25.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 5.1 t80 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.163 . . . . 0.0 111.046 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 16.3 t80 -74.1 103.1 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.402 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 4.2 p -132.27 119.09 20.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 51.1 mt -110.62 135.49 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.53 110.7 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 164.05 27.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.39 -24.27 24.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.187 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.817 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.7 m-80 -113.84 136.08 53.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.606 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.4 m-85 -133.48 133.26 42.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.574 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 40.0 m-85 -120.88 125.18 46.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.4 mm? -104.13 133.56 48.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -119.55 125.94 50.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.956 ' OH ' HD12 ' A' ' 60' ' ' ILE . 6.6 m-85 -115.42 102.16 54.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 137.68 21.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 pttt 40.1 46.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.6 t -108.13 120.59 42.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.22 15.11 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.414 HD21 HD22 ' A' ' 78' ' ' LEU . 19.4 tp -70.18 135.67 49.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.448 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.0 p -86.76 165.66 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.49 -28.9 64.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -66.13 -48.55 70.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.448 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 10.5 m120 -65.52 -44.39 87.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.546 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.66 -34.08 75.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.605 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.4 tm? -69.09 -40.92 78.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.9 m -68.17 -44.78 75.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' HD13 ' A' ' 35' ' ' LEU . 35.4 mt-30 -68.13 -48.29 65.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' O ' ' HE2' ' A' ' 41' ' ' LYS . 20.8 mm -62.44 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.267 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.605 ' HG1' HD22 ' A' ' 29' ' ' LEU . 54.5 m -63.13 -32.95 74.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -84.16 -11.21 56.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.32 117.76 16.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.571 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -79.48 163.16 24.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.542 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 1.2 t -146.32 153.72 48.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.542 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.04 -15.84 20.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.57 1.826 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.76 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -101.59 -93.46 0.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.76 ' H ' HG23 ' A' ' 39' ' ' THR . 6.4 t-20 178.1 140.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' HE2' ' O ' ' A' ' 32' ' ' ILE . 7.8 mtpp -88.66 123.35 33.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.1 mp -96.15 -86.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 50.9 t80 -103.61 154.24 19.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.055 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.713 HG12 HG23 ' A' ' 62' ' ' ILE . 65.5 mt -145.16 115.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.655 ' HE2' HG21 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -136.11 128.69 30.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.53 ' CG2' HD11 ' A' ' 58' ' ' LEU . 3.3 mt -118.97 115.13 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.51 ' HA ' HG12 ' A' ' 110' ' ' VAL . 10.6 t -110.72 138.63 46.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 108.293 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -96.97 144.13 27.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.24 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 57' ' ' HIS . 28.0 tt0 -145.57 135.52 23.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.835 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.1 mm? -98.09 134.85 40.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.45 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 34.1 m170 -84.15 154.49 23.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.666 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.64 -6.94 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -83.21 1.16 42.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.78 0.69 89.15 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.44 136.92 21.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.835 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 123.53 7.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 5.1 t-80 -108.62 154.89 21.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -130.34 138.08 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.83 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -118.39 144.34 45.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 109.675 179.889 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.956 HD12 ' OH ' ' A' ' 18' ' ' TYR . 9.5 mt -139.24 139.84 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -138.61 110.62 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.934 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.713 HG23 HG12 ' A' ' 44' ' ' ILE . 5.7 mt -119.07 151.97 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.556 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 25.3 tt0 -128.93 143.23 50.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.437 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 92.1 m-85 -119.2 147.72 43.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.508 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -62.93 -33.6 75.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.43 164.15 20.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -59.61 109.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.633 ' HB2' HG21 ' A' ' 39' ' ' THR . 1.4 t80 -90.99 135.28 33.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.449 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.42 110.26 22.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.5 t -105.68 71.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 108.373 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.3 t -95.93 31.67 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.351 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -153.91 122.85 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.703 ' HA ' HD11 ' A' ' 91' ' ' ILE . 2.2 pt20 -86.8 26.21 1.16 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.464 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.6 mtp180 -115.57 -11.49 11.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.403 1.064 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.571 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.7 t80 -77.81 -21.48 51.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.419 ' O ' HD12 ' A' ' 78' ' ' LEU . 19.4 m-85 -112.91 13.31 19.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.464 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.3 m-20 -66.63 106.14 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -104.19 136.03 44.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 m -122.69 163.62 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 83' ' ' ARG . 11.8 t -86.31 118.35 70.2 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.65 12.82 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.0 p -113.44 -20.66 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 12.2 ttm180 -133.6 144.33 49.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.68 56.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.67 134.09 47.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -104.88 146.36 29.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.632 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 15.9 m-85 -126.59 132.69 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -111.75 100.8 49.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.632 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.515 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.01 159.29 41.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -87.2 131.71 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' A' ' 73' ' ' GLN . 7.6 mt -97.29 119.61 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.466 ' CG ' ' HB2' ' A' ' 15' ' ' PHE . 12.5 pt20 -135.96 132.79 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.61 130.05 10.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.594 1.184 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.817 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.327 -0.404 0 O-C-N 124.52 0.776 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.707 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 18.3 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -38.94 75.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 t -58.13 -46.46 85.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 2.4 t80 -71.16 -34.29 70.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 67.0 mt -63.75 -32.87 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.64 -24.77 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -74.86 68.48 1.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -83.07 -178.26 7.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.224 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.0 77.52 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.57 70.76 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.655 HG21 ' HE2' ' A' ' 45' ' ' LYS . 6.2 m -140.94 166.0 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.911 HD23 ' N ' ' A' ' 112' ' ' GLU . 6.1 tt -104.95 143.16 33.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.608 1.193 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.911 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -120.45 128.37 53.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.644 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.9 t90 -141.8 153.92 44.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.644 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 59.7 174.63 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.11 122.32 37.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.707 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.9 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.3 t80 -76.97 102.5 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.415 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.63 113.02 12.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.429 HD11 ' CE1' ' A' ' 7' ' ' PHE . 71.7 mt -106.31 133.41 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.485 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 1.4 mtmt -134.73 110.44 9.24 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.37 163.47 27.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -86.5 -26.34 24.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.633 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 6.3 m-80 -117.22 135.24 53.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.4 m-85 -127.44 142.35 51.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 12.8 m-85 -119.72 122.05 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.566 ' N ' HD22 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -104.76 129.4 53.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.507 HG23 ' NE2' ' A' ' 57' ' ' HIS . 16.1 m -121.04 118.28 29.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.526 ' OH ' ' CD1' ' A' ' 78' ' ' LEU . 17.4 m-85 -107.51 101.78 41.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.04 138.8 23.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 7.1 mttt 39.89 46.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.493 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.8 t -105.98 120.97 43.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 108.346 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.04 14.55 7.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.63 135.17 49.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.647 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.2 p -85.08 162.2 19.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.9 -29.6 66.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -48.17 74.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.647 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.1 m120 -66.52 -44.09 83.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.489 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.65 -33.08 74.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.15 -44.81 71.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.459 ' N ' HD13 ' A' ' 29' ' ' LEU . 66.0 m -67.83 -44.69 76.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.542 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 10.8 mt-30 -65.9 -47.75 73.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' A' ' 28' ' ' ALA . 18.7 mm -64.44 -45.47 95.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.545 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.4 m -62.48 -38.44 89.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.449 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 30' ' ' SER . 28.0 m120 -81.6 -7.72 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -74.92 119.09 18.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.623 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 35.2 mt-30 -81.14 163.34 23.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.596 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -146.32 160.79 41.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 -22.74 14.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.781 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.608 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -100.37 -99.15 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.608 ' H ' HG23 ' A' ' 39' ' ' THR . 7.7 t-20 -175.2 144.64 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.713 ' HZ2' HG21 ' A' ' 62' ' ' ILE . 7.2 mtpp -90.46 118.71 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.7 tp -89.98 -59.89 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 116' ' ' PHE . 37.4 t80 -137.28 157.36 46.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.585 HG23 HG12 ' A' ' 62' ' ' ILE . 27.8 mt -138.41 116.8 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.521 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 8.4 tptt -116.74 117.29 29.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.228 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.434 ' O ' ' HB ' ' A' ' 110' ' ' VAL . 22.0 mt -118.75 114.98 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.5 t -124.86 136.55 53.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 108.296 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 28.8 ttt180 -103.36 142.38 34.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 49' ' ' GLU . 7.2 tp10 -141.85 132.66 25.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.801 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.2 mm? -99.12 135.29 40.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.449 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 29.1 m170 -83.03 153.74 24.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.562 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.77 -6.57 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -86.38 -2.64 58.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.65 5.92 77.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 15.5 pt-20 -96.66 127.01 41.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.801 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.98 134.81 18.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.436 1.756 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.507 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.8 t-80 -127.12 152.04 47.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 109.542 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -128.54 139.87 52.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.618 1.199 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.869 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -122.66 141.37 51.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.567 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.489 HD11 ' HB1' ' A' ' 28' ' ' ALA . 9.5 mt -142.85 139.46 27.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 tm? -138.41 109.47 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.713 HG21 ' HZ2' ' A' ' 41' ' ' LYS . 5.8 mt -116.95 147.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.516 HE21 ' HD1' ' A' ' 116' ' ' PHE . 1.4 pt20 -136.02 115.94 13.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 36.8 m-85 -90.26 157.19 17.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.43 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -60.56 -33.74 73.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.86 156.62 18.91 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.504 1.127 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -59.03 111.22 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 0.807 . . . . 0.0 109.366 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.471 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.5 t80 -87.88 137.79 32.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.485 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.4 t-20 -96.76 107.47 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 10.4 t -106.17 69.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.415 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.5 t -94.03 30.65 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -163.91 115.8 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -80.94 48.76 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -118.2 -22.57 7.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.623 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.5 t80 -76.44 -38.71 55.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.947 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 91' ' ' ILE . 24.7 m-85 -87.77 12.21 13.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 69.0 m-20 -69.77 106.65 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.542 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -106.4 136.85 45.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 m -123.59 165.18 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 83' ' ' ARG . 31.3 t -84.75 119.54 72.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -6.24 17.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 p -111.45 -20.98 12.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.458 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.3 ttm-85 -133.99 145.36 49.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.38 54.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.47 132.92 52.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -102.15 147.15 26.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.612 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -126.16 133.29 51.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.24 101.38 45.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.51 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.06 159.51 41.05 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.25 119.68 27.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 73' ' ' GLN . 21.1 mt -88.37 125.08 41.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -135.25 132.4 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.18 113.73 4.79 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -47.35 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.6 m -57.61 -48.91 78.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -62.9 -35.56 80.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.613 HD12 ' CE2' ' A' ' 116' ' ' PHE . 27.1 mt -69.23 -32.36 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -26.87 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -73.48 67.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.03 169.4 15.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.01 93.11 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 61.33 34.3 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.259 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 2.1 m -111.79 163.48 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.846 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.1 tt -105.26 145.62 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.846 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.4 mp0 -129.96 130.74 45.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.221 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.569 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 5.9 t90 -137.46 142.98 41.57 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.569 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 74.81 -173.44 52.18 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.439 1.087 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -122.63 119.7 31.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.721 . . . . 0.0 110.362 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.613 ' CE2' HD12 ' A' ' 104' ' ' ILE . 21.0 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.64 ' CE1' HD11 ' A' ' 9' ' ' ILE . 10.4 t80 -78.25 101.56 7.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.457 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.5 OUTLIER -133.27 119.93 20.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.946 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.64 HD11 ' CE1' ' A' ' 7' ' ' PHE . 21.8 mt -113.92 134.88 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -134.9 111.38 9.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.32 163.55 27.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -33.7 32.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.534 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.2 m-80 -114.49 146.58 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.2 m-85 -133.56 144.19 49.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 61' ' ' LEU . 36.8 m-85 -120.14 124.59 46.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -104.22 128.81 51.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -119.49 119.37 33.66 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 6.3 m-85 -112.08 102.02 52.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.94 21.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 2.8 mtpp 39.24 45.32 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.6 t -100.64 121.5 41.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 108.244 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.81 14.21 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.453 HD21 HD22 ' A' ' 78' ' ' LEU . 15.7 tp -70.39 137.88 50.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.747 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -87.18 160.5 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.27 -30.04 68.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -47.89 72.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.747 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.1 m120 -65.48 -43.82 89.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.67 -34.58 75.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.592 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.1 tm? -69.25 -41.4 76.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -45.1 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.625 ' O ' HD13 ' A' ' 35' ' ' LEU . 36.9 mt-30 -67.81 -48.14 67.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.0 mm -62.47 -45.68 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.592 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.5 m -65.04 -37.54 87.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -82.21 -8.74 59.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.47 118.66 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.349 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.63 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -82.61 162.35 21.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.537 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.22 157.92 45.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.05 -5.35 16.66 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.603 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.95 -107.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.451 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 8.2 t-20 -170.85 142.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.247 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.651 ' HZ2' HG21 ' A' ' 62' ' ' ILE . 6.7 mttp -90.58 116.4 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -89.49 -59.1 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 59.6 t80 -137.16 155.07 50.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.413 HG23 HG12 ' A' ' 62' ' ' ILE . 45.0 mt -136.24 118.96 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -110.67 124.22 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.7 mt -128.19 116.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.2 t -126.2 138.86 53.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -96.84 142.43 28.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.741 ' C ' HD22 ' A' ' 50' ' ' LEU . 7.9 tp10 -140.37 136.77 33.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.9 mm? -127.06 135.58 50.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.433 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 25.7 m170 -91.66 154.59 18.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.14 -6.64 53.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -83.09 -3.1 56.94 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.01 3.82 72.81 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 19.1 pt-20 -96.39 118.86 65.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.404 0.708 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.899 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.04 150.38 37.9 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 8.7 t-80 -140.48 152.28 45.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.619 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.796 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -133.57 135.88 44.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.796 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -121.78 137.21 54.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.559 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.541 HD12 ' OH ' ' A' ' 18' ' ' TYR . 77.4 mt -142.39 139.06 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -138.39 110.73 7.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.651 HG21 ' HZ2' ' A' ' 41' ' ' LYS . 3.5 mt -115.12 149.64 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.528 ' NE2' ' HA ' ' A' ' 116' ' ' PHE . 1.2 pp0? -135.41 116.61 14.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 43.6 m-85 -91.14 156.44 17.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.482 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.34 -33.63 73.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.28 156.83 17.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -58.76 112.38 1.61 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 0.792 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.48 ' HB2' HG21 ' A' ' 39' ' ' THR . 8.0 t80 -90.83 142.09 28.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.414 1.071 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.453 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.5 t-20 -101.91 115.1 29.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.868 ' SG ' HG21 ' A' ' 91' ' ' ILE . 7.2 t -111.3 70.49 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 108.326 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.457 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 5.6 t -100.54 33.98 2.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -168.95 109.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.456 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -76.12 55.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.228 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.408 ' HA ' ' OD2' ' A' ' 77' ' ' ASP . 3.4 mmt85 -121.96 -25.56 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.4 t80 -76.4 -39.26 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 27.0 m-85 -88.32 12.87 12.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 65.2 m-20 -69.86 106.72 3.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.537 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -103.89 136.02 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 m -124.39 164.34 22.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 83' ' ' ARG . 41.6 t -85.43 118.77 71.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -5.54 16.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.782 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.6 p -111.57 -20.94 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.6 1.187 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.87 144.58 49.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.52 58.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.064 . . . . 0.0 110.057 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.37 135.48 48.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.25 145.91 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -126.53 136.57 52.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.09 103.05 52.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.642 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.0 160.12 40.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -87.47 118.02 26.64 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.868 HG21 ' SG ' ' A' ' 70' ' ' CYS . 13.3 mt -88.41 125.6 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.3 tt0 -135.31 133.23 38.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.417 1.073 . . . . 0.0 110.23 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.16 114.18 4.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.534 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.499 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.1 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -43.34 96.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.46 -53.03 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.957 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -62.82 -35.48 80.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.551 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 36.3 mt -62.46 -37.87 79.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -25.31 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -75.09 69.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.91 171.4 13.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 147.5 94.27 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 42.9 m-20 62.53 33.62 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.236 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.88 165.73 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.11 . . . . 0.0 109.235 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.2 tt -105.02 145.66 30.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.544 ' N ' HD23 ' A' ' 111' ' ' LEU . 24.3 mt-10 -132.81 123.6 26.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.663 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 7.2 t90 -130.72 148.43 52.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 108.007 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.663 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 69.29 -179.39 25.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.74 120.58 33.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 7.5 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 13.7 t80 -76.91 103.35 6.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.405 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.0 OUTLIER -131.98 110.55 10.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.3 mt -107.26 133.92 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 1.2 mtpt -134.25 109.64 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.6 163.74 27.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 109.257 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -24.86 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.797 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.1 m-80 -114.16 133.42 55.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.0 m-85 -129.6 138.33 51.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 94' ' ' ALA . 38.2 m-85 -120.05 126.48 50.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.4 mm? -104.83 129.34 53.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.895 HG23 ' CE1' ' A' ' 57' ' ' HIS . 26.3 m -119.88 117.87 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.61 ' CD2' ' HB3' ' A' ' 89' ' ' PRO . 5.8 m-85 -111.38 102.68 53.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.06 142.02 27.17 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.602 1.843 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 7.5 pttt 37.84 37.28 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 11.7 t -93.13 118.84 31.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 108.243 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -86.46 11.97 11.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.619 HD21 HD22 ' A' ' 78' ' ' LEU . 22.0 tp -71.14 135.15 47.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.414 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.9 p -85.09 163.69 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -70.86 -28.16 64.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.23 -48.98 71.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.228 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.414 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 6.0 m120 -66.79 -43.81 82.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.14 -32.99 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.565 HD22 ' OG1' ' A' ' 33' ' ' THR . 0.7 OUTLIER -69.06 -44.63 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -68.4 -43.84 76.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.6 ' O ' HD13 ' A' ' 35' ' ' LEU . 27.0 mt-30 -65.99 -48.42 71.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' HA ' ' HB2' ' A' ' 35' ' ' LEU . 17.8 mm -64.82 -45.36 95.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.565 ' OG1' HD22 ' A' ' 29' ' ' LEU . 46.2 m -62.9 -35.07 78.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -85.26 -8.79 58.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.6 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.58 119.01 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.639 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 13.3 pt20 -82.45 162.62 22.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.573 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -146.86 159.15 44.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.377 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.508 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.04 -3.5 14.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.593 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -116.54 -107.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.593 ' H ' HG23 ' A' ' 39' ' ' THR . 9.1 t-20 -170.87 141.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -91.02 125.62 35.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.3 tp -100.43 -56.15 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.537 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 61.4 t80 -137.12 154.16 50.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.558 HG23 HG12 ' A' ' 62' ' ' ILE . 57.3 mt -138.27 118.09 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HE2' HG21 ' A' ' 110' ' ' VAL . 5.0 tptt -110.58 125.31 53.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.534 HG23 HD21 ' A' ' 58' ' ' LEU . 63.8 mt -128.76 115.62 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.3 m -129.85 139.42 51.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 108.261 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.9 147.27 24.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.756 ' O ' HD22 ' A' ' 50' ' ' LEU . 10.8 tp10 -140.33 157.23 45.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 49' ' ' GLU . 3.7 mm? -126.53 134.76 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -93.82 156.44 16.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -6.91 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -84.23 -1.1 54.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.88 2.93 88.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.42 124.11 52.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.281 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.554 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.02 129.97 12.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.895 ' CE1' HG23 ' A' ' 17' ' ' THR . 10.5 t60 -122.74 155.15 37.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.708 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.534 HD21 HG23 ' A' ' 46' ' ' ILE . 4.9 tt -132.65 141.83 48.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.488 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -117.53 142.18 47.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.586 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.456 ' CD1' HG12 ' A' ' 46' ' ' ILE . 5.8 mt -142.1 138.92 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -137.25 111.11 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.558 HG12 HG23 ' A' ' 44' ' ' ILE . 4.7 mt -114.7 149.31 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.545 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 1.2 pp0? -135.76 116.75 14.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -91.12 156.85 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.486 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -60.62 -33.51 72.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.25 158.1 20.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -58.9 121.01 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.479 ' HB2' HG21 ' A' ' 39' ' ' THR . 7.0 t80 -100.27 142.72 31.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.51 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.2 t-20 -101.14 108.37 20.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.835 ' SG ' HD13 ' A' ' 91' ' ' ILE . 10.5 t -102.99 68.62 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.248 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.5 t -95.49 31.11 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -162.58 117.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.453 ' HG3' ' CE2' ' A' ' 7' ' ' PHE . 1.1 mt-30 -86.53 43.22 1.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -116.64 -20.74 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.639 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.8 -39.45 51.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 27.6 m-85 -87.88 12.55 12.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.4 m-20 -66.86 111.11 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.619 HD22 HD21 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -108.46 136.92 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.427 HG12 ' CG ' ' A' ' 86' ' ' HIS . 5.6 m -125.83 163.91 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.36 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.1 t -85.76 117.8 69.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -3.84 14.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.442 1.759 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.6 p -111.95 -21.09 11.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 1.7 ttt180 -133.79 144.01 48.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.06 58.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.75 134.42 46.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.427 ' CG ' HG12 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -104.6 147.59 27.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.593 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -126.2 134.23 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.02 102.25 45.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.662 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.61 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.92 159.43 41.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -98.64 120.5 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.835 HD13 ' SG ' ' A' ' 70' ' ' CYS . 7.1 mt -85.89 129.94 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.381 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -135.16 132.98 38.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.51 120.77 6.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.797 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.446 0.733 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.496 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 26.7 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -38.3 83.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 m -57.55 -46.81 83.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -71.4 -33.57 69.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 31.4 mt -63.63 -34.32 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.18 -23.91 63.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -74.12 67.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.1 -178.16 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.63 71.27 0.06 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.442 1.089 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.36 68.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 0.782 . . . . 0.0 109.272 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.443 HG21 ' HE2' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -140.85 166.61 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.3 tt -104.71 142.51 34.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.785 ' N ' HD23 ' A' ' 111' ' ' LEU . 5.6 tt0 -125.1 126.69 45.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.534 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 30.4 t90 -134.59 154.43 51.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.534 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.15 179.18 3.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.46 1.1 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.1 119.39 29.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.545 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 9.0 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.8 t80 -77.91 102.89 7.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.14 110.85 10.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.068 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.5 mt -103.22 135.05 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -135.23 109.67 8.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.55 163.95 27.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.211 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -22.98 23.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.0 m-80 -115.0 137.1 52.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.569 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.5 m-85 -133.91 137.0 44.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 58.0 m-85 -120.39 127.59 52.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.482 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.8 mm? -104.69 133.07 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.55 HG23 ' NE2' ' A' ' 57' ' ' HIS . 11.7 m -121.27 121.23 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.46 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 6.2 m-85 -115.4 104.14 53.61 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.489 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.02 140.86 25.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 5.2 pttt 37.72 41.44 0.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.491 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 9.1 t -98.59 120.72 39.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 108.28 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -87.01 14.75 6.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.408 HD21 HD22 ' A' ' 78' ' ' LEU . 20.1 tp -70.87 136.14 48.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.681 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.6 p -86.5 162.93 17.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.67 -29.05 65.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -66.12 -47.92 72.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.681 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.3 m120 -66.03 -44.22 85.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -69.29 -33.53 73.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.574 HD22 ' OG1' ' A' ' 33' ' ' THR . 0.8 OUTLIER -68.96 -42.7 76.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.6 m -69.53 -44.4 71.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.566 ' NE2' HD23 ' A' ' 78' ' ' LEU . 27.4 mt-30 -66.17 -47.59 73.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.0 mm -65.13 -45.71 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.574 ' OG1' HD22 ' A' ' 29' ' ' LEU . 51.2 m -63.4 -33.99 76.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -83.83 -10.24 58.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.33 117.44 16.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.496 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 1.2 mt-30 -79.51 161.51 25.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.717 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.5 OUTLIER -148.4 153.64 40.72 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.602 1.189 . . . . 0.0 110.382 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.514 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.0 Cg_endo -75.11 -0.49 10.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.717 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -113.67 -107.29 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.585 ' H ' HG23 ' A' ' 39' ' ' THR . 8.1 t-20 -171.94 134.8 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.479 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 7.1 mttp -90.86 127.21 36.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.896 HD11 ' N ' ' A' ' 65' ' ' GLU . 4.0 mp -103.41 -86.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.484 ' HB2' ' CA ' ' A' ' 116' ' ' PHE . 41.6 t80 -102.82 153.4 20.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.744 HG12 HG23 ' A' ' 62' ' ' ILE . 88.9 mt -141.58 115.92 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.592 ' NZ ' HG21 ' A' ' 110' ' ' VAL . 1.3 tmtp? -118.52 128.59 54.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.5 HG23 HG12 ' A' ' 60' ' ' ILE . 26.5 mt -125.4 117.58 50.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.2 t -122.91 138.13 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 108.316 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.431 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -99.58 144.0 29.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 110.277 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -142.07 134.71 28.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -98.22 134.82 40.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -85.97 150.03 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.61 -7.09 35.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.78 0.81 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 2.94 89.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 19.6 pt-20 -96.53 131.17 28.83 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.94 125.77 9.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.791 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.55 ' NE2' HG23 ' A' ' 17' ' ' THR . 4.8 t-80 -112.03 154.87 24.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.867 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -130.89 140.79 50.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.867 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.12 143.82 49.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 0.0 109.625 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.5 HG12 HG23 ' A' ' 46' ' ' ILE . 4.7 mt -141.89 140.65 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.38 111.51 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.744 HG23 HG12 ' A' ' 44' ' ' ILE . 2.8 mt -119.97 154.44 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.543 ' NE2' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -131.11 145.92 52.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.337 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 42' ' ' LEU . 89.5 m-85 -122.44 153.26 39.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.896 ' N ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -65.92 -33.27 75.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.08 158.24 18.6 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -59.46 110.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.569 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.9 t80 -88.67 134.1 34.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.424 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 5.4 t-20 -96.18 114.13 25.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.665 ' SG ' HD13 ' A' ' 91' ' ' ILE . 8.3 t -111.27 69.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 108.275 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.9 OUTLIER -92.56 29.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -158.99 125.55 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.652 ' HA ' HD11 ' A' ' 91' ' ' ILE . 28.3 mt-30 -88.57 35.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.455 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 6.5 mtm180 -117.01 -15.44 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.496 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.1 t80 -77.26 -25.85 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.482 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 29.8 m-85 -106.13 13.62 28.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.066 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.455 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 70.3 m-20 -65.91 107.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.566 HD23 ' NE2' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -105.72 136.77 44.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.436 HG12 ' CG ' ' A' ' 86' ' ' HIS . 3.7 m -121.53 164.75 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 25.2 t -85.26 118.43 70.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 p -112.33 -20.74 11.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' SER . 18.5 ttt-85 -133.51 144.23 49.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.235 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.21 56.84 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.59 141.71 50.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.436 ' CG ' HG12 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -108.7 147.84 31.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.602 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 19.2 m-85 -126.27 134.81 51.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.02 101.56 45.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.05 166.19 29.67 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.445 1.761 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.42 122.71 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.665 HD13 ' SG ' ' A' ' 70' ' ' CYS . 8.9 mt -86.83 129.14 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -135.32 132.71 38.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.67 123.96 8.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.614 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 22.0 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -39.47 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.1 t -57.59 -46.16 84.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.519 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 11.0 t80 -71.13 -33.82 70.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.35 -26.87 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -81.75 -37.64 26.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.678 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 4.2 pttt -75.6 35.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 105' ' ' ASP . 7.4 p30 -83.02 179.19 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 158.17 94.81 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 4.9 m-20 79.16 55.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.592 HG21 ' NZ ' ' A' ' 45' ' ' LYS . 1.1 m -137.09 166.71 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.745 HD23 ' C ' ' A' ' 111' ' ' LEU . 2.8 tt -104.63 129.14 52.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.726 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -109.99 143.28 40.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.731 ' CE3' HD12 ' A' ' 44' ' ' ILE . 22.2 t90 -141.3 154.53 45.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.469 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 56.26 179.86 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.08 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -125.55 126.7 45.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.614 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.3 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.55 ' HE1' HD11 ' A' ' 9' ' ' ILE . 12.8 t80 -77.12 102.26 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.9 111.01 10.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.957 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.55 HD11 ' HE1' ' A' ' 7' ' ' PHE . 40.7 mt -104.51 136.77 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -134.84 111.35 9.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.403 ' HA ' ' CE ' ' A' ' 67' ' ' LYS . . . -162.3 163.43 28.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' CE ' ' OD1' ' A' ' 13' ' ' ASN . 8.5 ttpt -84.97 -32.55 22.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.1 m-80 -114.61 141.92 47.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -133.3 142.02 48.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 22.9 m-85 -119.45 123.06 43.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.604 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.1 mm? -104.47 132.67 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.409 HG23 ' NE2' ' A' ' 57' ' ' HIS . 3.1 m -120.69 118.02 29.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.842 ' OH ' HD12 ' A' ' 60' ' ' ILE . 10.1 m-85 -108.47 101.29 42.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.08 137.48 21.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER 39.38 46.33 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.6 t -103.09 120.48 40.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -86.84 14.49 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 15.5 tp -70.99 135.89 48.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.7 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.9 p -85.7 156.86 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HD3' HD12 ' A' ' 111' ' ' LEU . 2.1 pptp? -64.54 -29.07 70.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -66.25 -47.85 72.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.7 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -66.36 -43.5 85.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.91 -35.08 76.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.591 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.9 OUTLIER -69.22 -41.64 76.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.386 179.921 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 t -68.86 -45.19 71.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.93 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.608 ' O ' HD13 ' A' ' 35' ' ' LEU . 36.7 mt-30 -66.86 -47.38 72.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.4 mm -64.16 -45.39 96.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.591 ' HG1' HD22 ' A' ' 29' ' ' LEU . 45.1 m -64.03 -35.44 80.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -83.51 -9.97 58.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.48 118.67 17.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.612 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 16.8 mm-40 -80.32 164.38 23.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.602 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -145.34 161.89 39.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.939 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HD2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 -25.72 11.65 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.65 -93.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.692 ' H ' HG23 ' A' ' 39' ' ' THR . 6.5 t-20 178.26 146.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.602 ' HG3' HG21 ' A' ' 37' ' ' THR . 8.7 mttp -90.27 121.07 31.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.676 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.3 tp -91.85 -57.41 2.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 62' ' ' ILE . 56.2 t80 -137.84 157.93 45.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.437 HD12 ' CE3' ' A' ' 113' ' ' TRP . 53.4 mt -138.65 116.86 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -114.19 128.24 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 69.0 mt -128.81 115.74 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 30.8 t -128.06 139.41 52.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 108.251 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.493 ' HA ' HD22 ' A' ' 58' ' ' LEU . 10.2 ttt180 -97.02 144.28 27.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.577 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 25.7 tt0 -143.76 133.82 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.55 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.8 mm? -98.44 134.56 41.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.477 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 22.3 m170 -85.68 156.14 20.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -77.29 -6.54 53.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.03 -6.24 59.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.49 0.31 70.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.477 ' HG3' ' HB2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -96.37 135.32 22.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.344 179.906 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 123.66 8.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.577 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 4.1 t-80 -109.9 155.47 21.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -132.27 138.12 47.75 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.822 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.14 142.67 46.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.641 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.842 HD12 ' OH ' ' A' ' 18' ' ' TYR . 22.8 mt -142.27 136.38 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.613 1.196 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.4 tm? -138.15 110.09 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.545 HG23 ' O ' ' A' ' 43' ' ' PHE . 3.3 mt -117.45 150.9 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 1.2 pp0? -136.02 116.96 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 44.0 m-85 -90.87 157.42 17.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.676 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -60.21 -33.49 72.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 161.98 22.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 11' ' ' ALA . 22.5 mtpt -58.64 110.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 38' ' ' PRO . 2.9 t80 -87.4 139.19 30.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -96.89 119.19 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.773 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.2 t -115.26 67.37 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.33 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 7' ' ' PHE . 1.4 t -94.19 29.99 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -163.99 117.71 1.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 109.189 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.614 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -86.28 41.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -115.09 -19.03 11.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.612 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 13.0 t80 -76.59 -39.16 53.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.477 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 14.4 m-85 -88.31 12.12 14.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.938 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 71.0 m-20 -67.13 106.83 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.24 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.541 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -105.61 136.36 45.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.467 HG11 ' CE1' ' A' ' 86' ' ' HIS . 2.6 m -124.04 163.8 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.9 t -86.17 119.44 71.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -6.83 18.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.56 -19.66 13.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.7 OUTLIER -133.06 142.17 48.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -76.38 56.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.13 140.07 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.467 ' CE1' HG11 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -107.7 147.75 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.624 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 17.2 m-85 -126.43 131.59 51.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.75 103.56 47.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.642 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.92 158.04 42.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -87.53 121.34 29.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.773 HD13 ' SG ' ' A' ' 70' ' ' CYS . 76.3 mt -85.16 127.72 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.18 132.6 38.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.74 114.45 4.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.511 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.3 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -43.22 91.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.3 m -57.67 -46.9 83.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 25.9 t80 -68.06 -34.32 76.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.528 HD11 ' CE2' ' A' ' 116' ' ' PHE . 62.8 mt -65.21 -40.06 87.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.04 -25.82 65.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -75.02 69.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.9 168.6 16.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.238 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 146.91 97.17 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 17.3 m-20 62.66 33.91 15.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.414 HG21 ' CE ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -122.13 166.66 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.224 -179.919 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.0 tt -104.81 145.46 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.552 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.9 tm-20 -130.91 122.6 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.619 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 20.5 t90 -132.47 154.2 50.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.602 1.189 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.619 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 63.4 -178.51 6.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -123.18 120.46 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 0.808 . . . . 0.0 110.443 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 14.7 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 21.0 t80 -74.04 102.73 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.58 112.83 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.0 mt -108.05 134.35 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.239 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 109.68 8.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.46 163.89 27.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -87.53 -22.67 24.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.376 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.83 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.2 m-80 -115.61 135.97 53.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.6 m-85 -133.55 134.77 43.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.542 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 46.8 m-85 -120.25 127.07 52.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.762 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.5 mm? -104.74 133.98 48.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.598 HG23 ' NE2' ' A' ' 57' ' ' HIS . 13.8 m -120.04 125.48 48.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.368 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.566 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 3.8 m-85 -117.8 101.56 51.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.0 139.77 24.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER 38.11 42.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.517 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 10.0 t -98.63 122.74 42.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -86.6 12.34 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 tp -71.11 134.71 47.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.717 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.6 p -86.72 162.09 18.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -69.74 -29.17 66.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -47.4 73.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.717 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.0 m120 -67.0 -43.78 82.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.66 -35.85 77.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.376 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.612 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.5 tm? -68.09 -42.27 80.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.0 m -71.18 -38.88 72.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 20.4 mt-30 -70.63 -36.28 73.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.663 HD13 ' CD2' ' A' ' 35' ' ' LEU . 5.6 mm -63.75 -36.16 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -41.68 93.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 110.455 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -73.69 -11.78 60.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.663 ' CD2' HD13 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -74.45 114.69 13.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.638 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 6.9 mt-30 -84.89 162.96 19.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.655 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -146.24 158.11 48.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -75.0 -26.1 11.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.778 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -93.09 -102.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.376 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.596 ' H ' HG23 ' A' ' 39' ' ' THR . 0.7 OUTLIER -173.38 138.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.666 ' O ' HD12 ' A' ' 42' ' ' LEU . 8.8 mtpp -83.96 152.77 24.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 41' ' ' LYS . 3.0 mp -132.11 -87.58 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 42.2 t80 -102.77 152.84 20.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.067 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.972 HD12 ' CE3' ' A' ' 113' ' ' TRP . 25.2 mt -138.0 115.59 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.4 OUTLIER -119.64 121.27 38.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.612 HD12 ' HB2' ' A' ' 29' ' ' LEU . 78.7 mt -117.41 114.17 44.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.4 t -113.83 138.76 49.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 108.336 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -98.14 142.71 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -147.95 133.27 18.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.916 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.5 mm? -98.66 134.94 40.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.567 ' CD2' ' CB ' ' A' ' 57' ' ' HIS . 34.8 m170 -80.86 148.99 29.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.44 -6.87 38.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -83.92 1.86 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.42 2.24 89.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 12.6 pt-20 -96.6 136.04 22.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.916 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.04 124.08 8.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.598 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.3 t-80 -112.27 154.59 25.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.655 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.883 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -131.38 141.2 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.883 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -120.11 144.45 47.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.64 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.547 HD11 ' HB1' ' A' ' 28' ' ' ALA . 13.4 mt -140.85 138.16 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -138.46 111.6 7.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.593 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 3.3 mt -122.36 151.72 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.538 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -132.26 145.56 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 59.0 m-85 -119.86 156.62 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -33.69 73.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.73 160.33 21.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -59.08 118.08 5.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.282 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.557 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 3.8 t80 -93.88 140.8 29.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.434 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 4.7 t-20 -101.33 111.7 24.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.741 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.1 t -107.28 69.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.4 t -94.88 31.1 1.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -164.5 116.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.553 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -82.21 46.14 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.2 mmp_? -119.15 -18.78 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.638 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.7 t80 -77.06 -37.47 54.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.762 ' CE1' HD21 ' A' ' 16' ' ' LEU . 26.2 m-85 -90.66 12.66 18.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 67.0 m-20 -67.08 106.51 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -108.94 136.69 48.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.1 m -121.58 164.13 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 6.6 t -85.82 118.41 70.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.82 13.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 111.046 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.2 p -112.81 -20.66 11.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 17.6 ttt85 -133.71 143.64 48.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.242 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 56.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.63 138.02 49.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -102.67 147.82 26.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.9 m-85 -126.32 128.35 46.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.97 101.41 44.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.618 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.566 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.6 Cg_endo -74.95 164.79 32.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -96.4 125.09 40.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.741 HD13 ' SG ' ' A' ' 70' ' ' CYS . 13.1 mt -85.39 129.2 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.11 133.03 38.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.53 125.01 8.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.83 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.69 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 23.0 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -40.48 89.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.82 -47.15 83.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.585 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 19.7 t80 -71.61 -33.83 69.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.13 -34.79 61.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -25.04 65.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 69.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.22 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.07 -175.05 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 110' ' ' VAL . . . 120.31 96.3 1.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 51.71 67.72 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 108' ' ' GLY . 14.4 m -141.07 164.41 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.72 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.5 tt -105.36 147.23 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.72 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.4 mp0 -133.07 123.35 25.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.972 ' CE3' HD12 ' A' ' 44' ' ' ILE . 9.5 t90 -135.29 154.74 51.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 107.997 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.598 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.06 173.83 5.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 111.084 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.16 121.49 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 0.731 . . . . 0.0 110.391 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.69 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 4.4 t80 . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.504 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 17.0 t80 -78.19 101.74 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.428 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.1 OUTLIER -133.56 118.32 18.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.995 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 mt -110.93 135.09 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.61 111.16 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.2 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.38 163.32 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -87.5 -25.67 23.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.84 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 8.4 m-80 -118.71 138.55 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 10.0 m-85 -132.81 141.86 48.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.673 ' CE1' HD23 ' A' ' 61' ' ' LEU . 25.7 m-85 -120.4 123.57 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.64 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.6 mm? -106.0 132.19 52.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -120.64 121.49 38.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.646 ' OH ' HD12 ' A' ' 60' ' ' ILE . 9.5 m-85 -109.01 101.75 45.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.06 135.59 19.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.4 tttt 39.47 53.61 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.7 t -112.45 123.38 50.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 108.317 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.62 13.38 8.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.21 134.91 47.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.422 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -86.56 162.51 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -69.81 -28.19 65.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.357 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -47.64 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.422 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.3 m120 -67.57 -43.83 79.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.75 -35.87 79.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.659 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.3 tm? -69.34 -41.5 76.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -44.67 75.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 32.2 mt-30 -68.47 -48.12 65.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.482 HG21 HD11 ' A' ' 62' ' ' ILE . 3.4 mm -62.69 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.659 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.2 m -62.88 -38.77 92.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -81.87 -7.06 59.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -74.61 118.28 17.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.923 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.58 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.76 161.88 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.571 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.9 OUTLIER -148.16 153.59 41.51 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.534 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 -2.85 13.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.527 1.804 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.63 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -115.26 -105.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.467 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.63 ' H ' HG23 ' A' ' 39' ' ' THR . 6.5 t-20 -170.6 136.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.51 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 5.9 mtpp -90.39 119.23 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.381 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -96.61 -82.92 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.461 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 53.7 t80 -103.02 153.11 20.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.649 HG12 HG23 ' A' ' 62' ' ' ILE . 88.7 mt -143.61 116.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HE2' ' CG2' ' A' ' 110' ' ' VAL . 0.0 OUTLIER -119.18 126.21 51.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.448 HG22 ' HB3' ' A' ' 25' ' ' LYS . 34.1 mt -128.81 114.47 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.417 ' SG ' HG11 ' A' ' 110' ' ' VAL . 40.1 t -125.77 138.45 53.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 108.345 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.443 ' HG3' HD22 ' A' ' 58' ' ' LEU . 3.9 ttp-105 -103.19 141.63 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -149.06 133.71 17.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 7.9 mp -98.65 135.18 40.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -81.6 157.72 24.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.544 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.41 -5.45 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -81.16 -1.32 44.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.371 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.42 90.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.03 133.67 24.9 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.531 0.783 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.441 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.99 123.27 7.76 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 4.2 t-80 -115.85 155.3 28.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.787 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -132.36 135.34 46.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.787 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -113.32 143.06 45.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.58 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.646 HD12 ' OH ' ' A' ' 18' ' ' TYR . 34.4 mt -142.49 137.07 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.673 HD23 ' CE1' ' A' ' 15' ' ' PHE . 1.8 tm? -138.68 109.78 6.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.649 HG23 HG12 ' A' ' 44' ' ' ILE . 5.2 mt -120.05 148.46 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.54 HE21 ' HA ' ' A' ' 116' ' ' PHE . 1.2 pp0? -137.21 116.82 12.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -90.4 155.96 18.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -33.4 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.42 158.07 16.21 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -59.34 112.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.416 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 3.7 t80 -88.3 139.26 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -100.47 109.58 21.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.618 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.2 t -106.75 69.86 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.353 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.428 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.8 t -96.26 31.57 2.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -162.55 126.96 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.243 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.743 ' HA ' HD11 ' A' ' 91' ' ' ILE . 3.4 pt20 -88.16 36.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -116.18 -14.0 11.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.308 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.58 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.4 t80 -77.31 -40.38 44.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.64 ' CE1' HD21 ' A' ' 16' ' ' LEU . 27.9 m-85 -90.18 14.05 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.934 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.467 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 66.0 m-20 -65.84 106.23 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.505 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -109.03 136.56 48.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.9 m -123.47 163.93 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 6.0 t -85.9 119.37 71.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -4.4 15.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.426 1.75 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.06 -20.3 12.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.2 ttm180 -133.41 143.7 49.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.25 54.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.01 134.69 48.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -102.01 146.76 27.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.661 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.5 m-85 -126.43 132.34 51.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.67 101.11 50.38 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 109.596 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.579 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 161.95 37.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.39 123.62 32.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.743 HD11 ' HA ' ' A' ' 73' ' ' GLN . 9.7 mt -87.19 129.14 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -135.24 132.72 38.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.87 113.39 4.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.84 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.56 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 19.4 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -46.17 84.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.5 m -58.34 -41.75 85.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.503 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 9.1 t80 -70.17 -35.7 74.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 100' ' ' VAL . 70.4 mt -66.32 -25.53 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -78.71 -29.71 45.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -72.31 58.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -82.72 -179.91 7.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 140.17 99.42 0.41 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 8.8 m-20 63.37 33.89 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.481 ' CG2' ' HE2' ' A' ' 45' ' ' LYS . 2.6 m -117.3 167.94 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.0 tt -104.29 136.17 44.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.211 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.753 ' N ' HD23 ' A' ' 111' ' ' LEU . 13.7 tt0 -121.43 133.58 55.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.677 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.0 t90 -141.47 153.67 45.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.677 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 57.11 -179.42 0.72 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.02 131.59 53.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 110.406 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.56 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 32.2 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 11.2 t80 -79.0 103.1 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.92 109.82 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 7' ' ' PHE . 39.4 mt -102.51 133.51 46.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -134.69 110.47 9.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.362 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.32 163.64 27.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -23.89 23.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.798 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.3 m-80 -114.56 136.2 53.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -133.17 133.49 42.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 35.3 m-85 -119.6 126.19 50.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.596 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.7 mm? -104.72 131.6 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.434 HG23 ' NE2' ' A' ' 57' ' ' HIS . 20.7 m -119.54 131.42 55.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.804 ' OH ' HD12 ' A' ' 60' ' ' ILE . 2.1 m-85 -123.35 103.51 35.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.91 134.61 18.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 39.63 58.19 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -112.02 124.66 52.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.143 . . . . 0.0 108.354 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -86.18 10.48 14.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 tp -71.21 134.47 46.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.651 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.0 p -86.89 161.97 17.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.365 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.34 -28.83 66.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.18 -47.62 73.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.651 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.9 m120 -68.29 -44.07 76.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 32' ' ' ILE . . . -67.42 -35.95 80.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.732 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.3 tm? -67.91 -47.69 68.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -44.05 91.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.427 ' CD ' HD23 ' A' ' 78' ' ' LEU . 51.5 mt-30 -65.09 -36.25 83.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.717 HD13 ' CD2' ' A' ' 35' ' ' LEU . 6.1 mm -65.43 -33.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.507 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.77 -41.06 92.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.439 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -74.32 -12.37 60.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.717 ' CD2' HD13 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -73.49 115.14 12.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.63 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -87.08 161.95 17.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.529 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.54 155.87 45.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.02 -6.26 17.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.549 1.815 . . . . 0.0 110.95 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.613 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -111.93 -107.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.613 ' N ' ' OG1' ' A' ' 39' ' ' THR . 6.5 t-20 -170.69 143.92 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.635 ' HZ1' HG21 ' A' ' 62' ' ' ILE . 8.5 mtpp -91.09 118.36 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.512 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.1 tp -91.25 -63.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 61.5 t80 -137.23 161.14 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.708 HD12 ' CE3' ' A' ' 113' ' ' TRP . 39.1 mt -136.31 135.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -128.41 108.07 10.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.732 HD12 ' HB2' ' A' ' 29' ' ' LEU . 50.2 mt -114.49 115.02 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 m -124.97 138.83 54.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 4.1 ttt85 -96.93 144.17 27.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.752 ' C ' HD12 ' A' ' 50' ' ' LEU . 25.0 tp10 -145.91 139.38 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.752 HD12 ' C ' ' A' ' 49' ' ' GLU . 7.5 mp -125.22 135.85 52.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -91.34 158.11 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.96 -4.89 18.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -80.09 -2.32 43.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.66 6.7 89.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 6.5 pt-20 -95.93 122.8 57.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.441 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.01 124.84 8.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 7.1 t-80 -116.18 153.66 31.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.859 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -132.59 140.38 48.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.859 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -124.25 137.3 54.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.804 HD12 ' OH ' ' A' ' 18' ' ' TYR . 65.7 mt -135.23 139.85 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.083 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.614 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -138.48 111.02 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.635 HG21 ' HZ1' ' A' ' 41' ' ' LYS . 8.5 mt -117.33 146.62 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.57 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 1.2 pp0? -131.57 119.17 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 56.0 m-85 -93.76 156.82 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.512 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.97 -33.68 74.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.08 163.15 21.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.159 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -59.43 119.33 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.534 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 5.0 t80 -97.48 142.47 29.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.499 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.0 t-20 -102.78 115.72 31.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.509 ' SG ' HD13 ' A' ' 91' ' ' ILE . 12.7 t -111.98 69.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.7 OUTLIER -93.18 29.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -164.6 115.92 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.824 ' HG2' HD12 ' A' ' 91' ' ' ILE . 2.8 mt-30 -82.03 48.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -119.98 -18.48 8.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.938 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.4 t80 -76.88 -38.75 53.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' HD21 ' A' ' 16' ' ' LEU . 22.0 m-85 -88.77 13.17 13.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.417 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.9 m-20 -66.66 109.2 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.427 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -110.15 137.76 47.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 m -122.91 164.22 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 8.1 t -85.55 118.4 70.6 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -1.91 11.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.434 1.755 . . . . 0.0 111.017 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.1 p -114.25 -20.67 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.1 OUTLIER -133.63 144.41 49.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.3 t -77.07 55.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.067 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.35 136.62 50.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.09 147.59 26.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.638 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.0 m-85 -126.31 131.52 51.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.76 101.51 44.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.505 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.0 157.82 42.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.394 1.734 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -87.5 126.56 34.98 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.824 HD12 ' HG2' ' A' ' 73' ' ' GLN . 5.7 mt -94.71 120.19 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -135.58 132.46 37.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.71 128.14 9.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.798 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.561 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 22.0 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.52 -39.68 88.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -46.68 84.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 103' ' ' TYR . 1.3 t80 -70.77 -32.96 70.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.8 mt -60.61 -29.32 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.569 1.168 . . . . 0.0 109.349 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.15 -25.11 62.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -74.01 67.94 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -83.06 -175.79 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.43 69.53 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 72.6 74.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.85 164.98 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.812 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.5 tt -105.08 138.95 40.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.812 ' N ' HD23 ' A' ' 111' ' ' LEU . 15.6 tt0 -122.62 132.79 54.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.708 ' CE3' HD12 ' A' ' 44' ' ' ILE . 30.5 t90 -139.57 149.47 43.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.429 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 68.4 -179.13 21.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.3 116.45 23.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 0.707 . . . . 0.0 110.421 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 63' ' ' GLN . 4.6 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.9 t80 -79.01 102.4 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -132.6 114.42 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.53 HD11 ' CE1' ' A' ' 7' ' ' PHE . 29.3 mt -103.89 134.16 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 111.84 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.42 27.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -82.82 -35.62 26.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.69 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.7 m-80 -113.04 138.98 49.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -130.33 142.18 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.602 ' CE1' HD23 ' A' ' 61' ' ' LEU . 6.7 m-85 -120.51 126.92 51.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 16' ' ' LEU . 2.0 mm? -103.52 130.61 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.539 HG23 ' CE1' ' A' ' 57' ' ' HIS . 57.8 m -118.77 117.22 28.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.587 ' OH ' HD12 ' A' ' 60' ' ' ILE . 6.8 m-85 -110.2 99.18 38.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.9 144.59 30.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 7.9 mttt 39.06 35.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.1 t -100.72 117.02 33.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 108.39 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -87.25 15.22 6.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 tp -67.29 138.42 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.554 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.3 p -86.51 162.99 17.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.65 -28.4 64.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.454 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -66.45 -47.61 72.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.931 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.554 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.4 m120 -67.23 -43.98 80.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.87 -33.88 74.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.666 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.3 tm? -69.11 -44.36 72.59 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 37.4 t -67.87 -45.56 74.18 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.525 1.141 . . . . 0.0 109.955 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' HD13 ' A' ' 35' ' ' LEU . 33.5 mt-30 -65.26 -47.63 76.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.9 mm -65.12 -46.14 92.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.604 ' OG1' HD22 ' A' ' 29' ' ' LEU . 55.2 m -62.42 -36.27 81.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.385 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 30' ' ' SER . 22.5 m120 -80.15 -12.71 59.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.191 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.26 115.91 14.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.517 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.24 161.87 27.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.933 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.734 ' OG1' HG22 ' A' ' 39' ' ' THR . 1.3 t -148.06 152.14 39.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.07 -1.46 11.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.734 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.1 OUTLIER -111.63 -107.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.391 1.057 . . . . 0.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.623 ' H ' HG23 ' A' ' 39' ' ' THR . 0.4 OUTLIER -171.62 129.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HG3' HG21 ' A' ' 37' ' ' THR . 8.1 mtpp -87.86 119.57 28.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.545 HD11 ' N ' ' A' ' 65' ' ' GLU . 5.8 mp -94.47 -88.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 112' ' ' GLU . 44.0 t80 -103.09 155.88 18.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 112' ' ' GLU . 80.2 mt -142.12 115.33 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -115.9 128.61 55.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 29' ' ' LEU . 39.2 mt -126.92 116.18 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.79 139.8 53.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.559 ' HD3' HD23 ' A' ' 58' ' ' LEU . 12.9 ttp180 -96.78 140.56 31.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 22.1 tt0 -131.2 132.03 44.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -100.03 135.84 40.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 24.5 m170 -88.43 155.97 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.632 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -6.77 51.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -87.54 -1.36 57.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.2 6.16 81.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 12.4 pt-20 -96.3 131.26 28.94 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.53 31.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.539 ' CE1' HG23 ' A' ' 17' ' ' THR . 5.2 t60 -139.24 146.78 40.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.534 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.907 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -124.57 143.49 50.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.907 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.49 148.28 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.677 179.916 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.587 HD12 ' OH ' ' A' ' 18' ' ' TYR . 4.4 mt -141.24 142.51 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.602 HD23 ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -139.24 111.79 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.524 ' N ' HD22 ' A' ' 61' ' ' LEU . 4.3 mt -115.47 154.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.574 ' OE1' ' CE1' ' A' ' 116' ' ' PHE . 3.3 tt0 -130.72 116.05 17.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.465 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 72.9 m-85 -93.06 149.84 20.94 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.465 1.103 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.545 ' N ' HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.88 -34.56 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.92 168.7 22.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -58.65 106.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.521 ' HB2' HG21 ' A' ' 39' ' ' THR . 12.9 t80 -87.23 138.94 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -97.17 127.76 43.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.693 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.4 t -126.03 68.66 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.3 t -93.66 29.02 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -153.98 125.42 7.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.538 ' HA ' HD11 ' A' ' 91' ' ' ILE . 2.2 pt20 -89.26 31.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.47 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 9.0 mtm180 -118.67 -11.87 9.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.2 t80 -77.88 -21.65 50.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.568 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 30.2 m-85 -113.12 13.9 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.47 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.7 m-20 -66.15 105.07 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.583 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -104.05 136.76 43.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.468 HG12 ' CG ' ' A' ' 86' ' ' HIS . 4.0 m -120.69 163.7 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.4 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.9 t -85.93 119.16 71.64 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -2.76 12.95 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.3 p -112.29 -20.78 11.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.8 143.6 48.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -76.15 56.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.64 141.35 50.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.179 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.468 ' CG ' HG12 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -108.52 148.27 30.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.54 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 18.1 m-85 -126.19 133.27 51.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.86 101.04 42.52 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.587 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 165.87 30.36 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.55 125.41 40.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.693 HG21 ' SG ' ' A' ' 70' ' ' CYS . 11.1 mt -93.7 122.02 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -135.4 133.3 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.247 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.08 119.82 5.55 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.69 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.544 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.5 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -40.61 97.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -49.76 75.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.62 -34.28 77.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 54.0 mt -63.89 -41.35 92.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.397 1.061 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.76 -29.04 68.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.13 74.93 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.431 ' HA ' HG11 ' A' ' 110' ' ' VAL . 32.9 m-20 -82.39 178.11 8.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 133.03 98.18 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 58.6 m-20 63.45 36.09 11.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.551 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -120.62 167.04 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 112' ' ' GLU . 1.1 tt -128.7 115.74 18.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.638 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -106.49 144.72 32.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.561 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.8 t90 -137.8 146.25 43.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.561 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 68.91 -167.15 46.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.15 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.5 m -126.37 128.58 47.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CE1' ' OE1' ' A' ' 63' ' ' GLN . 43.5 t80 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.39 -176.2 35.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -129.89 158.02 40.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.7 t80 -74.03 103.05 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.06 109.69 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 7' ' ' PHE . 56.9 mt -107.45 135.97 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.516 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -134.46 110.86 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.68 27.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -23.01 24.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.957 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.5 m120 -114.88 135.79 53.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.8 m-85 -133.57 135.57 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 49.5 m-85 -120.37 126.91 51.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.467 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.8 mm? -105.24 135.09 47.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.619 HG23 ' NE2' ' A' ' 57' ' ' HIS . 10.3 m -123.44 123.42 40.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.65 ' OH ' HD12 ' A' ' 60' ' ' ILE . 4.0 m-85 -117.02 102.33 52.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.04 139.98 24.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER 39.21 48.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.9 t -106.49 119.6 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 108.313 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.61 13.97 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.461 HD21 HD22 ' A' ' 78' ' ' LEU . 21.1 tp -70.97 135.42 47.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.634 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.1 p -84.57 162.97 19.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.17 -28.9 65.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.12 -48.08 72.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.634 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.6 m120 -65.68 -44.06 87.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.97 -33.57 73.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.59 ' HB2' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -69.08 -43.3 74.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 51.1 m -68.24 -45.83 72.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.643 ' O ' HD13 ' A' ' 35' ' ' LEU . 34.2 mt-30 -65.77 -46.85 77.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 7.8 mm -64.81 -45.47 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.563 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.8 m -63.66 -36.27 83.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.1 m120 -82.33 -10.25 59.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.45 118.74 17.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.629 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.1 pt20 -79.22 162.67 25.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.488 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.11 158.08 45.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.02 -7.12 18.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.595 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.2 -107.26 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.42 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.595 ' N ' ' OG1' ' A' ' 39' ' ' THR . 16.7 t-20 -168.52 139.84 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HG3' HG21 ' A' ' 37' ' ' THR . 8.2 mtpp -91.06 121.82 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.493 HD23 ' HG2' ' A' ' 117' ' ' GLN . 1.0 OUTLIER -98.95 -86.0 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -103.15 155.28 18.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.779 HD12 ' CE3' ' A' ' 113' ' ' TRP . 95.9 mt -140.78 123.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -122.89 117.25 25.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.59 HD12 ' HB2' ' A' ' 29' ' ' LEU . 57.1 mt -119.81 116.42 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 t -128.35 138.68 52.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 108.321 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.654 ' HA ' HD22 ' A' ' 58' ' ' LEU . 9.1 ttm180 -96.95 143.16 28.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 57' ' ' HIS . 32.8 tt0 -146.26 132.27 19.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 10.2 mp -98.99 135.63 40.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.492 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 63.0 m170 -80.8 156.28 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -6.99 31.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.14 -1.48 53.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.99 5.17 86.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -96.1 132.53 26.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 0.762 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.03 122.91 7.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.619 ' NE2' HG23 ' A' ' 17' ' ' THR . 4.2 t-80 -115.75 154.42 29.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.94 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.4 tm? -127.77 142.43 51.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.94 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -120.75 141.08 50.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.616 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.65 HD12 ' OH ' ' A' ' 18' ' ' TYR . 40.9 mt -139.75 138.54 38.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.42 111.06 7.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.44 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.1 mt -118.51 151.0 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.557 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.79 116.69 14.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 47.7 m-85 -91.01 156.56 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -33.65 74.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.56 159.11 20.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -58.64 117.8 4.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.562 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.3 t80 -96.03 140.62 30.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.516 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 4.5 t-20 -98.09 107.64 20.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.712 ' SG ' HG21 ' A' ' 91' ' ' ILE . 39.2 t -100.62 67.04 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.411 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.4 t -95.7 30.72 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.468 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -160.97 119.3 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -89.48 38.08 0.89 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.427 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.5 mtt-85 -115.7 -17.65 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.629 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.7 t80 -76.99 -39.84 48.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 34.2 m-85 -87.98 12.44 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.427 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.2 m-20 -67.2 108.42 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -106.02 136.71 45.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.537 HG12 ' CG ' ' A' ' 86' ' ' HIS . 5.8 m -123.59 164.19 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' ARG . 29.3 t -85.52 118.59 70.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -3.2 13.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.1 p -113.2 -20.77 11.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 47.5 ttt180 -133.6 144.33 49.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.1 t -76.34 57.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.53 136.16 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.537 ' CG ' HG12 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -107.4 147.86 29.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -126.09 135.92 52.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.32 100.38 40.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 156.11 42.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -95.68 120.03 35.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.712 HG21 ' SG ' ' A' ' 70' ' ' CYS . 1.1 mt -84.94 133.51 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -135.15 133.29 39.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.76 122.98 7.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.957 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -77.24 113.36 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -5.86 38.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.461 ' HB3' ' CB ' ' A' ' 99' ' ' ASP . 3.2 m -96.18 176.45 6.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.719 ' O ' HG22 ' A' ' 100' ' ' VAL . 36.0 t -128.3 -65.03 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -80.2 -26.03 39.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 96' ' ' SER . 11.2 t70 -47.0 -24.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 97' ' ' SER . 22.0 m -67.65 -36.62 76.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -66.31 -38.74 88.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.7 m -57.5 -47.14 82.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -71.34 -33.63 69.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 27.7 mt -59.61 -33.37 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.65 -30.2 70.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -74.87 73.37 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.02 -176.82 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.91 96.81 0.54 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.81 70.1 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.483 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -140.84 164.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 5.8 tt -104.87 125.21 50.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.402 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.6 OUTLIER -106.85 124.22 49.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.779 ' CE3' HD12 ' A' ' 44' ' ' ILE . 10.7 t90 -138.48 142.9 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.55 175.19 17.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -123.63 124.43 42.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.594 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.6 t80 -79.76 150.12 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.493 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -150.13 116.6 5.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.3 mt -82.34 113.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.03 110.41 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 92.96 165.89 38.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.312 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.92 158.36 29.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -129.78 137.15 50.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 9.7 t80 -78.69 102.36 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.88 109.83 9.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 109.947 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.1 mt -101.49 133.81 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -135.12 111.15 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.39 28.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -85.35 -27.08 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.718 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 25.9 m-80 -117.46 143.99 45.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.7 m-85 -132.99 141.71 48.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 24.9 m-85 -120.36 122.56 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.49 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.5 mm? -104.17 129.39 51.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -120.08 122.59 41.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.944 ' OH ' HD12 ' A' ' 60' ' ' ILE . 2.8 m-85 -114.83 103.45 54.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.0 137.3 21.53 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.449 1.763 . . . . 0.0 111.02 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 38.45 42.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 9.1 t -96.62 120.95 37.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.63 13.19 9.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 15.2 tp -71.05 135.07 47.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.506 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.0 p -84.24 161.5 20.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.43 -28.81 66.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -47.63 74.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.506 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.4 m120 -67.09 -43.41 82.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.376 1.047 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.42 -35.78 78.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.614 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.1 tm? -69.27 -41.45 76.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.42 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -68.35 -45.6 72.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.059 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.589 ' O ' HD13 ' A' ' 35' ' ' LEU . 36.6 mt-30 -67.33 -47.94 69.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.565 HG21 HD11 ' A' ' 62' ' ' ILE . 8.5 mm -62.8 -45.58 98.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.614 ' OG1' HD22 ' A' ' 29' ' ' LEU . 53.4 m -64.69 -38.96 92.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.1 m120 -80.45 -9.84 59.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.372 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.589 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -73.78 118.1 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.615 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.96 162.89 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.711 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -147.23 160.31 39.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.98 -25.66 11.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.672 HG21 ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -96.73 -100.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.387 1.055 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.629 ' H ' HG23 ' A' ' 39' ' ' THR . 9.7 t-20 -174.38 140.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.711 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.5 mtpp -91.17 122.52 33.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -97.19 -85.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 49.3 t80 -103.27 157.3 17.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.619 HD12 ' CE3' ' A' ' 113' ' ' TRP . 95.3 mt -142.39 116.32 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -112.45 127.85 56.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 89.0 mt -128.53 115.58 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.5 t -128.75 138.49 52.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 108.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -99.68 143.31 30.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 8.5 tp10 -145.67 134.77 22.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.7 mm? -98.2 134.48 41.18 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.478 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 39.8 m170 -83.25 153.15 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.567 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.06 -6.87 48.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.403 1.064 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -83.64 1.53 41.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 1.02 89.56 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 18.4 pt-20 -96.68 136.32 21.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 110.345 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.773 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.98 125.93 9.65 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.507 1.793 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.478 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 6.0 t-80 -111.48 155.16 23.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -133.98 137.87 45.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.845 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -121.01 140.81 51.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.645 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.944 HD12 ' OH ' ' A' ' 18' ' ' TYR . 40.0 mt -142.42 139.31 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.3 110.56 7.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.565 HD11 HG21 ' A' ' 32' ' ' ILE . 7.5 mt -117.68 149.03 20.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.86 118.26 15.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.271 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -90.77 157.78 17.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.516 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -59.75 -33.6 71.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.39 1.056 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.85 160.76 22.42 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -59.01 110.91 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.777 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.672 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.0 t80 -88.55 141.56 28.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.452 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 4.9 t-20 -99.65 117.95 35.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.535 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.2 t -116.23 69.84 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.1 t -92.71 29.79 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -163.4 120.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.589 ' HA ' HD11 ' A' ' 91' ' ' ILE . 1.1 mt-30 -86.85 43.9 1.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 3.8 mtt180 -116.39 -17.97 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.615 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.97 -40.09 48.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.3 m-85 -87.85 12.92 11.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.429 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.2 m-20 -66.84 105.69 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -104.44 136.73 43.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 m -124.3 164.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.2 t -84.92 118.83 71.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.821 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.6 p -112.23 -21.12 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.88 144.8 49.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.248 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -76.55 56.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.09 134.3 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.81 145.61 30.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -126.39 134.87 50.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.18 101.64 48.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.549 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.06 159.38 41.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.39 123.88 32.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.589 HD11 ' HA ' ' A' ' 73' ' ' GLN . 19.9 mt -91.15 126.6 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.3 mm-40 -135.39 132.99 38.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.54 114.18 4.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.544 1.153 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.718 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.28 113.58 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -61.02 -149.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.545 ' O ' ' CB ' ' A' ' 97' ' ' SER . 95.0 p -89.73 142.5 27.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.7 OUTLIER 155.26 145.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 p -80.51 -6.67 58.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.95 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -45.17 -26.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.543 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 18.5 m -67.55 -42.01 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -61.02 -39.58 90.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -48.79 78.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.19 -34.6 77.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.456 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 29.5 mt -66.37 -39.48 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.64 -25.41 64.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -74.74 68.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.92 177.8 8.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.76 95.58 0.42 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 61.06 34.32 19.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 0.815 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.31 165.66 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 112' ' ' GLU . 10.3 tt -105.1 146.62 28.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.466 ' N ' HD23 ' A' ' 111' ' ' LEU . 11.5 tt0 -128.48 127.8 43.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.651 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.5 t90 -140.16 153.42 46.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.651 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.56 177.07 10.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.53 118.74 28.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 0.714 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.543 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 5.0 t80 -79.77 148.61 31.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.484 ' HG2' HD23 ' A' ' 42' ' ' LEU . 50.9 mm-40 -95.08 74.23 3.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 110.341 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.49 HG13 ' CD1' ' A' ' 116' ' ' PHE . 31.8 mt -79.25 112.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.5 142.88 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.75 135.44 3.72 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.122 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.536 0.786 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.95 -179.46 26.46 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.597 1.185 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.01 152.8 50.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 26.3 t80 -74.08 102.3 4.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.403 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -132.99 115.74 15.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.8 mt -109.26 134.83 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.08 112.48 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.09 163.56 28.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.89 -32.42 25.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.83 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.7 m-80 -114.16 144.8 42.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 7.0 m-85 -133.65 140.86 47.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 111.075 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.626 ' CD2' ' HB2' ' A' ' 94' ' ' ALA . 18.8 m-85 -120.73 122.4 40.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.5 mm? -104.97 139.96 38.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.644 HG23 ' NE2' ' A' ' 57' ' ' HIS . 14.1 m -127.62 119.06 25.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.714 ' OH ' HD12 ' A' ' 60' ' ' ILE . 16.4 m-85 -107.76 101.09 38.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.0 135.57 19.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 39.17 50.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.345 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.2 t -108.15 123.26 48.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.362 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.73 13.83 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 23' ' ' LEU . 15.0 tp -71.11 134.58 47.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.594 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.2 p -85.49 162.57 18.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 110.45 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.31 -29.19 65.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.5 -47.88 74.49 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 110.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.594 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -66.5 -44.51 82.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.489 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.47 -34.6 77.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD13 ' C ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -69.38 -41.84 75.98 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -45.07 71.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 110.045 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.531 ' NE2' HD23 ' A' ' 78' ' ' LEU . 7.2 mt-30 -67.69 -47.96 67.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.489 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 4.3 mm -62.74 -46.37 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.528 ' OG1' HD22 ' A' ' 29' ' ' LEU . 53.5 m -63.87 -35.27 80.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -83.92 -8.62 59.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -74.54 118.35 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 1.4 mt-30 -73.56 163.11 28.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.846 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -147.2 158.01 45.03 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 110.444 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.04 -25.53 11.72 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.783 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.17 -101.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.595 ' H ' HG23 ' A' ' 39' ' ' THR . 0.6 OUTLIER -171.26 135.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.846 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.5 mtpp -86.64 119.83 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.37 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.9 -86.05 0.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.46 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 54.8 t80 -103.7 155.77 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.9 mt -137.75 116.21 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.562 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -112.36 126.68 55.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 78.1 mt -129.1 114.82 33.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.437 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 15.2 t -126.92 139.39 53.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HA ' HD22 ' A' ' 58' ' ' LEU . 9.6 ttm180 -97.07 142.35 29.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 26.4 tt0 -140.06 134.0 30.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.71 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.9 mm? -98.42 132.95 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.6 1.188 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.423 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 37.2 m170 -82.68 153.77 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 109.643 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.14 -6.78 47.96 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -85.97 -1.55 57.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.02 4.37 81.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 19.1 pt-20 -96.4 133.56 24.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.71 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.99 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.644 ' NE2' HG23 ' A' ' 17' ' ' THR . 4.4 t-80 -112.45 155.1 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.415 1.072 . . . . 0.0 109.583 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -131.77 137.83 48.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.854 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -116.04 144.91 43.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.566 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.714 HD12 ' OH ' ' A' ' 18' ' ' TYR . 51.9 mt -142.49 135.89 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.82 110.39 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.477 ' N ' HD22 ' A' ' 61' ' ' LEU . 1.9 mt -118.47 151.92 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.567 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.06 114.93 12.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.507 ' CE2' ' HG2' ' A' ' 41' ' ' LYS . 35.3 m-85 -91.08 156.83 17.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -33.66 74.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.2 157.29 18.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.127 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -59.76 115.62 3.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.53 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.8 t80 -91.54 140.31 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.511 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 4.9 t-20 -98.49 118.17 34.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.619 1.2 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.3 t -115.73 70.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.403 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.4 t -94.43 31.56 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.424 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -161.54 128.66 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.755 ' HA ' HD11 ' A' ' 91' ' ' ILE . 7.0 mt-30 -88.81 33.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.464 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -116.52 -12.51 10.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.0 t80 -77.42 -27.77 52.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 16' ' ' LEU . 32.6 m-85 -104.5 13.55 31.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.464 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 65.7 m-20 -66.2 105.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.531 HD23 ' NE2' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -106.18 136.94 45.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.482 HG12 ' CG ' ' A' ' 86' ' ' HIS . 3.5 m -122.19 164.74 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' ARG . 34.8 t -85.08 119.25 72.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.949 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -3.18 13.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.6 p -114.0 -20.77 10.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.9 ttm180 -133.69 145.27 49.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.03 54.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.77 135.59 51.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.482 ' CG ' HG12 ' A' ' 79' ' ' VAL . 0.6 OUTLIER -105.66 146.8 29.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -126.37 134.18 51.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -112.84 99.51 48.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.507 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.5 Cg_endo -74.86 162.31 37.61 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.472 1.775 . . . . 0.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -91.81 123.15 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 73' ' ' GLN . 7.4 mt -85.43 132.86 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -135.25 133.03 38.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.346 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.7 114.52 4.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.83 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.25 113.36 22.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -155.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.538 ' O ' ' CB ' ' A' ' 97' ' ' SER . 8.4 t -89.69 142.95 27.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 155.38 142.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.7 m -79.28 -7.03 57.98 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 110.0 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -44.99 -26.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.513 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.5 m -67.95 -43.68 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.555 ' HG3' HD11 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -62.08 -43.5 98.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -57.6 -48.5 79.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.158 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 26.8 t80 -66.16 -36.03 82.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 111.046 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.568 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 58.8 mt -65.13 -37.49 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -30.56 68.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -75.0 72.54 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -82.99 172.19 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.426 ' O ' HG13 ' A' ' 110' ' ' VAL . . . 152.65 95.14 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 61.34 33.06 19.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 0.76 . . . . 0.0 109.237 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 108' ' ' GLY . 1.2 m -119.36 166.34 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.752 HD23 ' N ' ' A' ' 112' ' ' GLU . 6.2 tt -104.88 147.4 27.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.373 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.752 ' N ' HD23 ' A' ' 111' ' ' LEU . 33.3 mt-10 -133.73 130.71 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.676 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 11.3 t90 -138.83 152.75 48.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 108.048 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.676 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.22 179.78 10.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.38 121.08 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 6.2 t80 -79.71 146.37 32.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.65 124.15 10.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.555 HD11 ' HG3' ' A' ' 101' ' ' LYS . 3.3 mp -79.58 135.84 24.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -74.71 166.83 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.25 -90.12 0.1 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.565 0.803 . . . . 0.0 110.342 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.79 146.28 11.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.03 157.76 43.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 0.755 . . . . 0.0 110.276 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 9.4 t80 -79.2 102.33 8.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.418 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.82 115.83 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.938 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.447 HD11 ' CE1' ' A' ' 7' ' ' PHE . 27.1 mt -108.32 131.95 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.85 111.19 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.65 27.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -33.25 27.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.694 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.9 m-80 -114.43 141.22 47.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.462 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 7.2 m-85 -128.02 142.87 51.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.592 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 29.6 m-85 -120.19 121.45 38.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.794 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.4 mm? -104.48 129.62 52.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.586 HG23 ' NE2' ' A' ' 57' ' ' HIS . 24.3 m -122.2 124.48 43.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.505 ' CE2' HD13 ' A' ' 78' ' ' LEU . 9.4 m-85 -113.1 102.14 54.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.53 19.2 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 tttm 39.96 53.1 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.2 t -113.6 125.8 54.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.323 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.15 15.19 6.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 tp -70.89 134.16 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.692 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -87.13 162.82 17.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 8.2 pttt -70.63 -29.33 65.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -48.11 72.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.692 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.2 m120 -65.75 -44.05 87.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.02 -33.23 73.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.599 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.8 OUTLIER -69.01 -42.27 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.403 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 9.0 t -68.44 -45.57 72.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.585 ' O ' HD13 ' A' ' 35' ' ' LEU . 13.3 mt-30 -66.4 -47.55 72.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.107 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.419 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.9 mm -63.91 -45.25 97.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.599 ' HG1' HD22 ' A' ' 29' ' ' LEU . 43.4 m -63.67 -37.74 88.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.9 m120 -82.94 -7.1 59.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -74.43 119.54 18.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.0 mt-30 -82.25 161.19 22.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.612 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -148.82 156.43 41.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.493 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.461 1.769 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.612 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -116.26 -108.02 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.438 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.602 ' N ' ' OG1' ' A' ' 39' ' ' THR . 7.5 t-20 -173.16 140.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 8.3 mttp -89.85 118.89 29.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.614 HD23 ' HB2' ' A' ' 117' ' ' GLN . 0.8 OUTLIER -90.93 -54.8 3.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.405 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 44.7 t80 -137.52 156.43 48.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD12 ' CE3' ' A' ' 113' ' ' TRP . 77.3 mt -140.0 117.19 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' CE ' HG21 ' A' ' 110' ' ' VAL . 5.6 tptt -115.95 126.8 54.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 53.3 mt -128.7 115.99 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.8 t -129.24 138.47 51.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 108.346 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -98.4 143.28 29.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.673 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 8.1 tp10 -141.53 134.68 29.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.674 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.1 mm? -97.9 135.26 39.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.429 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 40.9 m170 -84.28 155.5 22.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.558 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.97 -6.8 49.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -86.66 0.06 55.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.81 5.01 86.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.429 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 21.4 pt-20 -96.25 132.67 26.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.674 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.0 Cg_endo -75.09 123.5 7.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.452 1.764 . . . . 0.0 110.947 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.673 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 3.6 t-80 -111.78 155.59 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.647 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.791 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -132.7 134.8 45.25 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.791 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -118.58 142.92 47.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.551 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.414 HG13 HD12 ' A' ' 58' ' ' LEU . 39.7 mt -142.73 140.5 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.592 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.25 110.69 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.484 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 4.6 mt -117.07 149.93 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.831 HE22 ' H ' ' A' ' 117' ' ' GLN . 1.2 pp0? -135.97 116.14 13.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 110.3 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 47.5 m-85 -91.91 156.08 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.56 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -61.64 -33.45 73.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.32 156.37 19.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -59.07 117.24 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.462 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 4.9 t80 -95.66 142.19 28.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -102.82 114.21 28.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.4 t -112.39 70.69 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 108.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.418 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.5 t -95.27 31.07 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 74' ' ' ARG . 29.1 t-20 -168.54 114.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.438 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -75.85 56.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.418 ' HG3' ' ND2' ' A' ' 72' ' ' ASN . 2.7 mmt85 -119.46 -29.05 5.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.8 t80 -74.07 -34.25 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.794 ' CE1' HD21 ' A' ' 16' ' ' LEU . 27.8 m-85 -91.96 12.47 21.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 73.0 m-20 -66.81 109.02 2.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.548 HD23 ' NE2' ' A' ' 31' ' ' GLN . 1.3 mt -111.84 136.83 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.405 HG11 ' CE1' ' A' ' 86' ' ' HIS . 2.3 m -123.76 164.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.2 t -85.75 118.94 71.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -4.52 15.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.8 p -111.15 -20.6 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 80' ' ' SER . 22.6 tpp180 -133.1 142.91 48.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.2 p -76.23 56.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.053 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.28 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.405 ' CE1' HG11 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -107.79 146.58 32.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.633 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.4 m-85 -126.36 133.27 51.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.53 102.97 53.39 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.176 . . . . 0.0 109.623 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.94 162.26 37.55 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.502 1.791 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -87.42 122.26 30.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.55 HG12 ' CD2' ' A' ' 76' ' ' PHE . 12.3 mt -90.64 126.28 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 3.1 tt0 -135.2 133.03 38.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.24 114.06 4.88 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.33 113.43 22.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -124.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.543 ' O ' ' CB ' ' A' ' 97' ' ' SER . 19.7 m -98.93 142.63 30.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.9 p 156.53 133.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.6 m -80.17 -6.42 57.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -44.59 -26.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 98' ' ' SER . 16.4 m -68.62 -45.55 81.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -64.22 -41.28 97.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 t -57.56 -46.77 83.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.497 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 1.4 t80 -70.13 -38.91 75.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.6 mt -59.49 -27.31 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.45 -39.73 24.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -74.83 73.4 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.408 ' HA ' HG11 ' A' ' 110' ' ' VAL . 3.3 p-10 -83.12 -163.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.36 99.16 1.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 61.28 39.56 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -119.22 163.47 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 5.4 tt -105.43 125.14 50.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -110.24 128.01 55.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.597 1.186 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.495 ' CE3' HD12 ' A' ' 44' ' ' ILE . 11.4 t90 -140.86 133.18 28.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.937 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.25 -175.46 54.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.62 131.58 53.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 0.716 . . . . 0.0 110.385 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.6 ' HA ' HE21 ' A' ' 63' ' ' GLN . 13.2 t80 -79.92 145.92 32.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 111.078 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.831 ' H ' HE22 ' A' ' 63' ' ' GLN . 1.7 mt-30 -140.41 130.95 25.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.0 mt -96.74 117.51 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.77 122.92 21.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.09 -129.17 9.48 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.451 1.094 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.336 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.5 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.37 147.73 6.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.371 1.044 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -127.87 151.61 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.239 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.589 ' CE1' HD11 ' A' ' 9' ' ' ILE . 10.6 t80 -74.55 101.68 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.432 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -133.58 119.03 18.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.06 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 7' ' ' PHE . 37.6 mt -114.12 136.18 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 110.65 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.36 163.24 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -84.49 -26.35 28.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.88 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 6.2 m-80 -117.8 141.73 48.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 70' ' ' CYS . 4.6 m-85 -133.37 143.38 48.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 24.3 m-85 -119.77 125.0 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.4 mm? -104.86 133.51 49.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.577 HG23 ' NE2' ' A' ' 57' ' ' HIS . 11.4 m -121.07 117.94 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 15.6 m-85 -109.76 102.19 49.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -75.04 135.03 18.46 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER 39.71 52.31 2.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.8 t -109.99 123.39 49.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.267 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 14.57 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 tp -70.98 134.52 47.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.4 p -86.89 165.06 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' CB ' HG21 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -71.11 -29.03 64.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -65.34 -48.52 72.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.407 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 8.1 m120 -66.76 -43.81 83.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.83 -32.87 73.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.548 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.11 -44.63 72.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -43.42 74.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.561 ' O ' HD13 ' A' ' 35' ' ' LEU . 16.1 mt-30 -66.13 -48.1 71.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.425 HG21 HD11 ' A' ' 62' ' ' ILE . 16.8 mm -65.49 -45.28 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.548 ' OG1' HD22 ' A' ' 29' ' ' LEU . 51.1 m -63.66 -33.54 75.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.374 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -85.14 -9.82 57.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.3 118.67 17.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.065 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.602 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.0 tt0 -80.63 162.48 24.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.561 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.64 158.33 43.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.498 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.1 -5.22 16.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.591 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.9 -107.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.591 ' N ' ' OG1' ' A' ' 39' ' ' THR . 10.0 t-20 -168.34 140.28 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.575 ' HZ2' HD11 ' A' ' 44' ' ' ILE . 4.7 mtpm? -90.87 121.25 32.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' HA3' ' A' ' 114' ' ' GLY . 1.1 tp -96.8 -87.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 66.9 t80 -104.97 163.33 12.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.575 HD11 ' HZ2' ' A' ' 41' ' ' LYS . 12.6 mt -141.23 128.7 21.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -121.35 108.49 13.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 25' ' ' LYS . 91.2 mt -113.2 115.44 49.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.137 . . . . 0.0 109.384 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -132.41 138.62 47.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 108.317 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -96.98 143.12 28.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -139.53 133.88 31.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.696 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.2 mm? -98.42 135.15 40.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 41.7 m170 -84.39 155.57 22.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 109.557 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.99 -6.91 51.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -86.11 0.63 53.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.84 4.33 87.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.399 1.062 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 22.1 pt-20 -96.31 133.68 24.61 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.696 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.99 123.38 7.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.577 ' NE2' HG23 ' A' ' 17' ' ' THR . 6.4 t-80 -111.99 153.25 27.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 0.0 109.602 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -128.92 137.31 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.835 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.89 141.85 49.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.477 HD11 ' HB1' ' A' ' 28' ' ' ALA . 45.2 mt -141.0 139.09 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.525 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -138.37 110.05 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.516 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.6 mt -115.93 151.07 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.44 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.74 116.68 14.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -91.38 156.41 17.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -33.66 74.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.59 155.44 17.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -58.91 114.33 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.545 ' HB2' HG21 ' A' ' 39' ' ' THR . 4.1 t80 -92.68 142.28 27.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.425 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -100.34 107.4 19.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.826 ' SG ' HG21 ' A' ' 91' ' ' ILE . 37.4 t -103.89 70.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.432 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 2.6 t -98.67 32.4 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -162.46 120.83 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.772 ' HG2' HD12 ' A' ' 91' ' ' ILE . 26.5 mt-30 -87.64 42.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -116.2 -21.32 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.241 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.6 t80 -76.54 -38.72 54.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.519 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 26.5 m-85 -87.94 12.66 12.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 72.6 m-20 -66.71 106.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.555 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.4 mt -109.3 136.91 47.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.35 163.48 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 8.5 t -86.65 116.68 66.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.975 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 1.74 7.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 p -108.66 -25.8 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.354 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 3.0 ptp180 -137.11 150.52 48.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.77 60.31 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.948 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.88 140.54 50.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.15 147.77 31.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.549 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 13.6 m-85 -126.17 132.95 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.14 100.18 48.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.93 159.23 41.85 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.1 122.22 31.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.826 HG21 ' SG ' ' A' ' 70' ' ' CYS . 19.9 mt -86.86 128.84 39.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 3.6 mt-30 -135.45 132.84 37.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.252 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.4 113.91 4.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.28 113.35 22.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -69.67 -133.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.563 ' O ' ' CB ' ' A' ' 97' ' ' SER . 52.6 p -93.39 142.54 27.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.952 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.0 OUTLIER 154.97 133.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 101' ' ' LYS . 84.3 p -79.8 -5.76 56.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.78 -26.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.509 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 12.8 m -67.61 -42.75 86.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -62.79 -48.08 80.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -57.99 -46.78 84.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -65.31 -33.8 76.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.2 mt -67.85 -32.34 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -70.9 -20.68 62.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -74.77 68.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.85 162.82 21.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 140.29 81.12 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.12 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 2.6 m-20 79.66 54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -141.03 168.28 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 112' ' ' GLU . 1.6 tt -130.29 115.75 17.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.065 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.567 ' N ' HD23 ' A' ' 111' ' ' LEU . 10.5 pm0 -110.0 145.88 36.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.655 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.6 t90 -129.9 153.22 48.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.008 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.655 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.91 -171.17 12.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 111.058 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.477 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.7 m -124.45 129.16 50.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.509 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 19.8 t80 -80.0 148.46 31.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.6 OUTLIER -149.64 130.62 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.391 1.057 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.5 mp -87.48 111.41 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.69 99.17 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.98 -123.9 0.68 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.11 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 121' ' ' ARG . 4.0 ptm85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.95 96.2 2.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 ttt85 -114.53 158.06 22.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 0.798 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' CE1' HD11 ' A' ' 9' ' ' ILE . 27.8 t80 -77.41 102.16 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.423 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -133.01 115.29 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.944 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.519 HD11 ' CE1' ' A' ' 7' ' ' PHE . 60.0 mt -108.65 131.89 58.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.514 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -134.69 111.99 10.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.23 163.57 28.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.87 -34.47 33.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.652 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.2 m-80 -114.17 147.88 38.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.4 m-85 -133.19 142.68 48.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 25.2 m-85 -120.4 121.78 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.563 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.1 mm? -104.29 129.33 52.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.567 HG23 ' NE2' ' A' ' 57' ' ' HIS . 28.0 m -122.1 118.24 28.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.54 ' CE2' HD13 ' A' ' 78' ' ' LEU . 15.0 m-85 -107.31 101.98 41.53 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.08 139.67 24.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 6.2 mtmt 39.89 47.05 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.402 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.9 t -110.53 121.0 44.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.227 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.61 15.62 6.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 tp -68.62 136.02 52.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.658 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.4 p -86.93 162.24 17.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 5.5 pttp -69.77 -29.07 66.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -47.59 75.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.271 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.658 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.9 m120 -68.03 -44.29 76.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -66.7 -36.2 81.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.64 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.6 tm? -69.13 -43.75 73.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -63.65 -44.67 93.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 27' ' ' ASN . 5.2 mt-30 -70.4 -44.94 66.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.436 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.8 mm -61.52 -45.38 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.64 ' HG1' HD22 ' A' ' 29' ' ' LEU . 35.7 m -63.88 -34.21 77.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.2 m120 -84.83 -8.78 58.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.41 118.81 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.616 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 36.9 mt-30 -83.55 162.27 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.499 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.59 157.33 44.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.0 -6.39 18.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.603 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.47 -106.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.427 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 9.2 t-20 -171.03 143.33 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HE3' HD11 ' A' ' 44' ' ' ILE . 7.5 mtpp -89.17 117.32 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.378 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -92.26 -55.48 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 40.1 t80 -137.23 152.68 50.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.422 HD11 ' HE3' ' A' ' 41' ' ' LYS . 76.2 mt -138.32 117.7 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HE2' HG21 ' A' ' 110' ' ' VAL . 4.2 tptm -118.16 128.43 54.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 39.1 mt -128.37 115.31 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.4 ' SG ' ' CG1' ' A' ' 110' ' ' VAL . 46.9 t -127.53 137.02 52.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.354 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.454 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 17.5 ttt180 -103.98 141.75 35.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -141.21 133.57 28.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.901 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.8 mm? -98.83 135.09 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.441 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 54.4 m170 -81.32 154.32 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -74.3 -6.67 49.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.346 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -86.17 1.39 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.61 3.83 88.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 12.8 pt-20 -96.51 133.05 25.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.901 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.5 Cg_endo -74.94 148.56 35.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.072 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.567 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.8 t-80 -141.0 151.08 43.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.528 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.87 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -128.71 140.17 51.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.87 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -124.06 140.07 53.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.599 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.471 HG13 HD12 ' A' ' 58' ' ' LEU . 58.6 mt -143.08 139.28 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.563 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.33 109.92 7.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.441 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.1 mt -115.71 150.24 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.58 ' HG2' ' CE1' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.11 116.48 13.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.262 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 41.3 m-85 -90.63 156.76 17.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -61.22 -33.88 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.37 158.03 19.66 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -59.32 113.82 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.574 ' HB2' HG21 ' A' ' 39' ' ' THR . 4.1 t80 -92.35 138.8 31.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.514 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.4 t-20 -99.64 107.19 19.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.1 t -105.79 70.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.531 1.144 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.2 t -93.2 29.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -159.25 120.41 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 21.8 mt-30 -87.16 42.65 1.04 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 3.7 mmt85 -116.78 -19.55 9.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.616 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.7 t80 -76.83 -39.24 51.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CD2' HG12 ' A' ' 91' ' ' ILE . 27.4 m-85 -87.97 12.64 12.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.5 m-20 -66.92 107.35 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -106.85 137.07 45.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 m -122.52 164.59 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 21.2 t -85.31 118.71 71.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.42 13.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.598 1.841 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 p -112.86 -20.71 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' SER . 2.6 ttt180 -133.56 144.51 49.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -76.7 55.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.8 140.23 51.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -107.59 147.93 29.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.564 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 22.2 m-85 -126.23 136.03 52.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.79 100.98 48.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.01 160.63 39.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -92.19 115.48 28.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.493 HG12 ' CD2' ' A' ' 76' ' ' PHE . 10.1 mt -86.91 127.56 40.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.15 132.91 38.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.88 114.49 4.57 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.652 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.2 113.52 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -138.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 97' ' ' SER . 7.8 t -89.71 143.13 27.05 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.598 1.186 . . . . 0.0 109.951 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.7 OUTLIER 156.99 132.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 101' ' ' LYS . 3.4 m -80.21 -7.39 58.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -45.69 -25.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.485 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.0 m -67.45 -42.63 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.5 OUTLIER -62.67 -50.39 71.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.4 t -57.93 -49.32 77.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.949 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -62.39 -35.45 79.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 26.2 mt -67.22 -31.22 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.062 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.18 -29.27 60.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -74.67 69.56 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -83.09 172.16 12.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.39 96.7 0.14 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 61.44 34.48 18.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 0.0 109.368 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.541 HG21 ' HE2' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -120.09 166.82 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.4 tt -104.66 143.93 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.623 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -127.74 129.94 47.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.221 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.605 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 18.5 t90 -138.24 152.26 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.605 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 63.49 -178.82 6.5 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -124.28 124.02 41.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 0.814 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 63' ' ' GLN . 19.1 t80 -79.87 147.74 31.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.05 130.72 14.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.0 mp -93.11 121.83 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -74.51 -55.58 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 113.22 -164.52 12.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.72 -79.1 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -108.69 151.88 25.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.634 ' CE1' HD11 ' A' ' 9' ' ' ILE . 9.6 t80 -74.69 102.12 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 111.082 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.4 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -132.96 111.46 11.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.634 HD11 ' CE1' ' A' ' 7' ' ' PHE . 19.8 mt -108.42 139.55 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.83 111.37 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.5 163.23 27.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -88.23 -25.83 22.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.745 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 7.4 m-80 -117.93 131.37 56.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 11.8 m-85 -126.42 142.82 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.594 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 20.8 m-85 -120.39 122.94 41.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.543 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.7 mm? -104.68 129.62 52.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -113.99 121.54 44.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.574 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 17.7 m-85 -111.95 102.96 54.81 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.03 136.89 20.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER 38.03 51.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.368 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 13.8 t -106.64 123.15 47.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -86.31 11.61 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD21 HD22 ' A' ' 78' ' ' LEU . 23.9 tp -71.34 134.21 46.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.677 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 9.2 p -85.13 159.22 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HB3' HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -67.1 -29.45 69.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.06 -47.88 72.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.677 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 5.2 m120 -66.45 -43.27 86.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.729 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.81 -36.03 82.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.631 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.4 OUTLIER -69.22 -41.89 76.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.416 ' N ' HD13 ' A' ' 29' ' ' LEU . 3.5 m -68.1 -45.33 74.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.535 ' CD ' HD23 ' A' ' 78' ' ' LEU . 58.3 mt-30 -66.98 -47.59 71.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 3.5 mm -63.76 -45.43 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.23 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.631 ' HG1' HD22 ' A' ' 29' ' ' LEU . 23.8 m -61.87 -33.84 74.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -84.38 -9.49 58.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.175 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -74.62 118.83 18.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.611 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.6 OUTLIER -79.08 162.5 25.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.611 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -147.47 156.95 45.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.345 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -74.93 -7.48 19.26 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.57 1.827 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -110.62 -107.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.39 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.585 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.9 OUTLIER -168.32 132.36 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.611 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.5 mtpp -87.07 118.67 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.691 HD13 ' HB2' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -94.44 -84.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.382 1.052 . . . . 0.0 109.354 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 56.2 t80 -103.71 156.15 18.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 62' ' ' ILE . 87.6 mt -143.82 115.89 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 26.1 tptp -123.06 127.53 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.523 HG23 HD11 ' A' ' 58' ' ' LEU . 4.9 mt -126.12 115.62 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.418 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 27.2 t -116.06 138.95 50.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.343 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -96.87 141.52 29.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -149.47 134.26 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.423 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 9.3 mp -98.7 135.85 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.6 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 59.5 m170 -82.71 156.99 23.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.653 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.52 -5.51 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -80.8 1.59 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.78 -0.5 86.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 2.8 pt-20 -96.12 137.94 21.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.44 0.729 . . . . 0.0 110.349 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.423 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.5 Cg_endo -74.95 123.34 7.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.6 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 4.3 t-80 -110.24 155.05 22.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.851 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -127.08 138.36 53.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.851 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.88 137.05 53.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.729 HD11 ' HB1' ' A' ' 28' ' ' ALA . 4.0 mt -132.4 137.19 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.594 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 tm? -138.71 110.47 7.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.656 HG23 HG12 ' A' ' 44' ' ' ILE . 1.6 mt -121.01 151.18 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' CG ' ' HB3' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -136.09 116.57 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -91.61 154.42 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.691 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -61.88 -33.83 74.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.35 156.87 17.75 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -58.82 112.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 0.731 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.585 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 5.8 t80 -90.74 142.45 27.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -99.53 110.73 23.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.807 ' SG ' HD13 ' A' ' 91' ' ' ILE . 8.9 t -105.79 68.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.4 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.7 t -96.87 31.55 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 110.333 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -162.21 123.31 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.825 ' HA ' HD11 ' A' ' 91' ' ' ILE . 1.3 pt20 -89.83 38.08 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 7.0 mmt180 -115.45 -17.94 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.247 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 9.6 t80 -76.99 -38.85 52.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CE1' HD21 ' A' ' 16' ' ' LEU . 14.8 m-85 -88.31 13.01 12.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 66.3 m-20 -66.44 106.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.535 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.1 mt -108.07 138.37 44.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 m -122.66 165.15 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 34.0 t -84.87 118.99 72.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.937 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.98 14.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.3 p -112.92 -20.59 11.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 80' ' ' SER . 7.1 ttm180 -133.64 144.93 49.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.93 55.53 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.74 142.79 51.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -108.5 147.67 31.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.586 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 19.8 m-85 -126.28 132.0 51.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.53 100.95 44.23 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.577 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.574 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.09 163.07 35.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -91.42 124.23 35.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.825 HD11 ' HA ' ' A' ' 73' ' ' GLN . 48.4 mt -83.83 126.23 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -135.39 132.27 37.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.07 113.78 4.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.46 113.21 22.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -149.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.5 OUTLIER -88.9 142.1 27.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.1 m 153.86 147.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER -80.26 -5.61 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.96 -27.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.493 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.7 m -67.68 -45.29 85.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.26 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -58.71 -39.61 81.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -45.0 86.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -70.74 -33.67 71.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 77.5 mt -67.82 -33.53 62.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.6 -22.9 59.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -74.97 68.28 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -82.67 154.05 25.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 148.46 100.31 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 33.6 m-20 64.29 36.18 9.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.478 HG21 ' HE2' ' A' ' 45' ' ' LYS . 2.7 m -122.41 168.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.543 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -129.28 119.37 23.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -105.91 145.81 30.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.433 ' N ' ' HG2' ' A' ' 112' ' ' GLU . 12.4 t90 -140.5 140.8 35.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 108.035 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.47 -171.59 54.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -123.81 127.42 48.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 0.747 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.493 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 19.0 t80 -79.99 151.06 30.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.59 ' CG ' HD23 ' A' ' 42' ' ' LEU . 16.8 mm-40 -108.08 141.64 39.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.248 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.7 mm -97.0 155.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.86 90.3 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 112.0 -161.27 12.79 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.562 0.801 . . . . 0.0 110.24 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.76 58.16 0.69 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.76 138.2 48.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.613 ' CE1' HD11 ' A' ' 9' ' ' ILE . 10.0 t80 -78.61 102.17 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.419 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.94 116.06 15.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 7' ' ' PHE . 22.7 mt -112.56 136.61 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -135.07 112.13 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.16 163.48 28.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.258 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -34.69 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.744 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.8 m-80 -113.96 144.73 42.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 8.6 m-85 -132.94 143.49 49.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 15.2 m-85 -120.72 119.52 33.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.1 mm? -104.47 134.21 48.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.731 HG23 ' NE2' ' A' ' 57' ' ' HIS . 91.6 m -123.14 137.71 54.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.44 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.714 ' OH ' HD12 ' A' ' 60' ' ' ILE . 1.8 m-85 -123.5 101.95 36.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.9 21.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt 39.54 47.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.8 t -107.08 123.46 48.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.94 14.65 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.04 135.19 47.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.685 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.0 p -86.91 163.11 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.54 -29.34 65.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -47.38 74.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.685 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -67.29 -43.62 81.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' O ' ' HB ' ' A' ' 32' ' ' ILE . . . -67.23 -36.98 82.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.671 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.8 OUTLIER -68.98 -43.74 74.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.408 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 42.6 m -63.76 -45.19 90.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.598 ' O ' HD13 ' A' ' 35' ' ' LEU . 37.4 mt-30 -68.34 -47.09 68.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.781 HD13 ' CD2' ' A' ' 35' ' ' LEU . 9.6 mm -61.76 -44.97 99.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.671 ' HG1' HD22 ' A' ' 29' ' ' LEU . 99.9 m -62.31 -32.27 72.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.4 m120 -87.64 -8.09 56.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.781 ' CD2' HD13 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -73.9 117.72 16.01 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.607 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.8 mt-30 -81.21 160.5 24.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.561 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -148.87 156.81 40.98 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.0 -1.84 11.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.575 1.829 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.617 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -117.94 -108.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.617 ' N ' ' OG1' ' A' ' 39' ' ' THR . 9.4 t-20 -172.32 143.65 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -90.1 117.54 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -87.31 -61.12 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 62.5 t80 -137.49 158.37 44.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.437 HG23 HG12 ' A' ' 62' ' ' ILE . 36.7 mt -136.72 129.35 44.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 3.0 tmtt? -127.4 110.56 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.597 HD12 ' HB2' ' A' ' 29' ' ' LEU . 53.2 mt -116.26 116.29 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.82 132.81 47.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.268 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 141.85 29.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . 26.3 tp10 -148.93 134.32 18.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 7.6 mp -97.22 135.27 39.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.549 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 54.8 m170 -82.65 157.63 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -5.71 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -81.32 -0.45 41.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.77 2.92 90.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -96.14 133.69 24.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 0.789 . . . . 0.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.07 123.58 7.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.731 ' NE2' HG23 ' A' ' 17' ' ' THR . 1.7 t-80 -120.85 155.62 33.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.562 HD21 HG23 ' A' ' 46' ' ' ILE . 4.5 tt -135.41 143.23 45.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.41 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -116.09 150.6 37.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.581 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.714 HD12 ' OH ' ' A' ' 18' ' ' TYR . 4.4 mt -142.6 137.02 28.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.556 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -138.16 110.4 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.507 ' N ' HD22 ' A' ' 61' ' ' LEU . 4.0 mt -121.09 149.98 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.217 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.551 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.85 116.96 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.329 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 53.3 m-85 -91.36 156.46 17.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 111.049 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -33.66 74.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.23 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.6 156.47 18.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -59.19 118.91 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.447 0.733 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.425 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 7.4 t80 -97.41 142.4 29.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 4.6 t-20 -100.55 111.11 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.2 t -105.49 69.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 108.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.419 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.9 t -98.84 33.2 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -170.59 113.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.232 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.482 ' HB3' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -79.58 50.11 1.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HA ' ' OD2' ' A' ' 77' ' ' ASP . 4.6 mmm-85 -116.29 -24.01 8.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.0 t80 -76.41 -38.35 55.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.523 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 23.4 m-85 -88.08 12.92 12.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.41 ' OD2' ' HA ' ' A' ' 74' ' ' ARG . 75.2 m-20 -66.36 106.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.627 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -108.4 136.54 47.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.533 HG12 ' CG ' ' A' ' 86' ' ' HIS . 4.0 m -124.22 164.66 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.504 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 8.2 t -85.25 119.61 72.54 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.87 14.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -20.41 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.474 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.7 tpp180 -133.37 143.78 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.1 t -76.73 55.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.5 141.14 51.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.533 ' CG ' HG12 ' A' ' 79' ' ' VAL . 0.6 OUTLIER -107.86 145.9 33.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.398 1.061 . . . . 0.0 109.62 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 80' ' ' SER . 12.1 m-85 -126.52 132.88 51.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -114.69 101.91 54.59 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.591 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.03 166.18 29.71 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -87.26 123.36 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.61 HG21 ' SG ' ' A' ' 70' ' ' CYS . 9.6 mt -89.09 128.37 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -135.35 132.95 38.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.194 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.4 114.25 4.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.744 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.18 113.64 22.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -144.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.544 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.3 OUTLIER -91.36 143.1 26.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.06 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.9 p 155.93 138.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.8 p -80.15 -7.36 58.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -45.07 -25.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.474 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.7 m -67.67 -44.06 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -58.4 -44.87 89.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.5 m -57.86 -49.3 77.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.418 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 70.3 t80 -63.8 -34.76 78.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 116' ' ' PHE . 82.5 mt -68.94 -38.16 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -25.09 66.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -74.83 71.71 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.414 ' HA ' HG11 ' A' ' 110' ' ' VAL . 2.2 t0 -82.81 177.41 8.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 138.23 90.31 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.8 OUTLIER 63.49 37.62 10.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -116.4 161.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 29' ' ' LEU . 5.1 tt -105.03 121.9 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' N ' HD23 ' A' ' 111' ' ' LEU . 48.5 mt-10 -113.14 134.66 54.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 110.335 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.548 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 9.6 t90 -140.88 144.62 35.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 107.99 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.548 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 73.66 -177.2 44.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.76 119.07 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CE2' ' HG2' ' A' ' 63' ' ' GLN . 11.9 t80 -79.82 147.18 31.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.23 137.71 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.0 mt -91.91 128.11 43.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.34 104.09 14.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 114.71 -158.93 14.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.43 1.081 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.476 0.751 . . . . 0.0 110.278 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.34 -175.17 49.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.91 157.19 44.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.0 t80 -78.91 102.51 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.405 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -132.51 113.59 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' A' ' 7' ' ' PHE . 44.3 mt -106.8 133.63 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.52 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -134.61 111.96 10.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.42 163.35 27.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.75 -33.6 30.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.725 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.9 m-80 -114.42 146.06 41.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.2 m-85 -132.24 144.13 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 61' ' ' LEU . 14.0 m-85 -120.08 121.76 39.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -104.9 133.83 49.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.835 HG23 ' NE2' ' A' ' 57' ' ' HIS . 60.9 m -124.02 117.98 25.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.8 ' OH ' HD12 ' A' ' 60' ' ' ILE . 13.8 m-85 -106.65 102.42 41.59 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.05 137.05 21.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' PRO . 11.3 tttt 39.15 44.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.503 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.3 t -102.3 121.07 41.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.095 . . . . 0.0 108.254 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.72 13.89 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD21 HD22 ' A' ' 78' ' ' LEU . 20.1 tp -71.04 135.67 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 p -86.78 164.97 16.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.87 -27.93 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 6.6 mt-10 -66.02 -48.57 70.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 8.2 m120 -67.07 -44.31 80.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.453 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.47 -34.12 76.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.601 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -68.91 -44.31 73.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.407 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 74.8 m -67.86 -45.27 75.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.092 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.588 ' O ' HD13 ' A' ' 35' ' ' LEU . 10.6 mt-30 -66.1 -47.53 73.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.2 mm -64.86 -45.76 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.601 ' HG1' HD22 ' A' ' 29' ' ' LEU . 43.0 m -62.49 -38.71 90.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.7 m120 -81.28 -9.34 59.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.49 118.72 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.632 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.6 tm0? -82.22 162.78 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.064 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.551 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -146.8 158.9 45.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.401 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -75.02 -4.15 14.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.757 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.605 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -116.43 -107.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.407 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.605 ' H ' HG23 ' A' ' 39' ' ' THR . 7.0 t-20 -169.88 141.08 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -90.79 120.45 31.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -92.5 -57.68 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.379 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' O ' HG23 ' A' ' 62' ' ' ILE . 58.1 t80 -138.48 158.62 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.2 mt -137.66 121.5 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' HE3' HG21 ' A' ' 110' ' ' VAL . 10.7 tptt -114.17 124.67 52.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.567 HG23 HD21 ' A' ' 58' ' ' LEU . 30.8 mt -129.79 116.16 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 55.8 m -130.2 137.2 49.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.249 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.4 143.79 27.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' HIS . 9.0 tp10 -145.63 133.52 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 1.0 OUTLIER -98.21 135.23 40.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.46 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 20.6 m170 -89.39 156.8 18.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.18 -6.55 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -83.28 -4.63 58.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.92 0.18 81.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -96.3 126.23 44.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 110.286 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.66 8.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.835 ' NE2' HG23 ' A' ' 17' ' ' THR . 3.5 t-80 -118.47 156.39 29.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.567 HD21 HG23 ' A' ' 46' ' ' ILE . 5.0 tt -135.39 143.0 45.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.541 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -116.93 144.88 44.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.598 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.8 HD12 ' OH ' ' A' ' 18' ' ' TYR . 42.3 mt -142.42 137.62 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 61' ' ' LEU . 1.2 tm? -136.18 110.2 8.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 43' ' ' PHE . 3.0 mt -115.36 151.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.509 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.7 116.34 13.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.07 . . . . 0.0 110.342 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -91.43 156.46 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.548 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.32 -33.94 74.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.5 155.64 18.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -59.24 112.84 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.577 ' HB2' HG21 ' A' ' 39' ' ' THR . 6.5 t80 -91.03 142.35 27.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.52 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.6 t-20 -100.97 106.35 17.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.567 ' SG ' HG21 ' A' ' 91' ' ' ILE . 12.6 t -102.74 70.39 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.147 . . . . 0.0 108.253 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.3 t -94.95 30.62 2.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 110.447 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -161.94 117.88 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.933 ' HG2' HD12 ' A' ' 91' ' ' ILE . 9.0 mt-30 -86.74 43.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.228 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.401 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 4.2 mtm180 -117.18 -20.0 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.632 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.8 -38.74 53.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.539 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 33.5 m-85 -87.79 12.2 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.401 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 71.2 m-20 -66.91 108.22 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD23 ' NE2' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -109.24 137.1 47.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 86' ' ' HIS . 4.4 m -126.11 164.61 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 9.7 t -85.16 118.88 71.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -2.26 12.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.2 p -113.67 -21.01 10.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.356 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 4.3 ttm180 -134.08 144.92 48.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.253 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.35 54.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.945 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.71 125.27 39.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.553 ' CE1' HG11 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -95.33 147.73 23.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.661 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 21.5 m-85 -126.23 131.22 51.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.71 101.24 42.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.479 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.94 158.11 42.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.75 121.79 32.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.933 HD12 ' HG2' ' A' ' 73' ' ' GLN . 7.1 mt -88.77 128.61 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.231 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -135.45 133.16 38.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.342 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.4 113.89 4.5 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.31 113.66 22.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -60.58 -150.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 109.247 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 97' ' ' SER . 23.7 p -89.24 142.87 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.3 t 155.41 142.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.2 p -79.94 -7.03 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.13 -25.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.461 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 14.1 m -67.54 -44.81 86.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 98' ' ' SER . 10.1 tptt -61.28 -40.94 95.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 t -57.81 -45.47 86.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.978 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.471 ' CE2' ' HG2' ' A' ' 45' ' ' LYS . 22.1 t80 -69.68 -33.4 72.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.497 HD11 ' CE2' ' A' ' 116' ' ' PHE . 66.2 mt -67.49 -36.21 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.92 -25.91 66.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -74.44 71.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.99 -172.94 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 114.0 101.14 2.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 2.2 m-20 63.42 43.64 5.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -131.29 166.98 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 112' ' ' GLU . 1.1 tt -131.45 113.94 14.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.567 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.3 OUTLIER -113.07 145.08 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.622 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 20.4 t90 -131.14 154.69 48.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.614 1.196 . . . . 0.0 108.039 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.622 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 70.7 -174.69 38.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.417 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.0 m -124.31 119.56 29.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.509 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 6.5 t80 -79.8 150.76 30.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.2 OUTLIER -146.67 129.58 16.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.1 mp -89.58 125.27 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.23 116.0 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -138.96 65.49 0.54 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 110.267 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.74 147.2 4.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.03 157.33 44.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 30.7 t80 -76.16 102.57 5.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.8 113.91 13.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.9 mt -111.87 135.58 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 1.5 mtpt -134.52 109.94 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.165 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.46 163.63 27.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -21.35 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.593 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.6 m-80 -117.17 134.62 54.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.578 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 4.5 m-85 -131.04 137.16 49.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 23.8 m-85 -120.29 124.62 46.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.588 HD21 ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -104.77 129.37 53.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' NE2' ' A' ' 57' ' ' HIS . 31.8 m -119.46 118.23 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.929 ' OH ' HD12 ' A' ' 60' ' ' ILE . 4.4 m-85 -108.95 104.24 54.32 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.05 136.52 20.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.442 1.759 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 39.79 48.14 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -105.36 122.12 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.88 14.6 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 tp -70.9 134.69 47.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.488 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.4 p -86.83 162.45 17.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.396 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.16 -27.57 64.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -66.27 -47.79 72.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.299 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.488 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.1 m120 -68.05 -43.74 77.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.72 -32.26 72.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -69.15 -44.15 72.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.404 ' N ' HD13 ' A' ' 29' ' ' LEU . 61.5 m -69.66 -43.49 72.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.596 ' O ' HD13 ' A' ' 35' ' ' LEU . 14.8 mt-30 -66.18 -48.02 72.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.2 mm -65.29 -45.74 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.501 ' OG1' HD22 ' A' ' 29' ' ' LEU . 52.5 m -64.19 -33.38 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.38 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -85.51 -10.34 56.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -73.54 118.93 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.371 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.618 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.1 mt-30 -79.29 162.17 25.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.514 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.91 158.61 42.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 -6.2 17.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.599 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -114.13 -107.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.378 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.599 ' N ' ' OG1' ' A' ' 39' ' ' THR . 10.2 t-20 -168.68 139.89 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HZ2' HD11 ' A' ' 44' ' ' ILE . 4.5 mtpm? -91.08 126.68 36.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.698 HD23 ' HG2' ' A' ' 117' ' ' GLN . 1.1 mp -103.54 -86.81 0.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.546 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 60.6 t80 -103.27 156.26 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.589 HD11 ' HZ2' ' A' ' 41' ' ' LYS . 9.3 mt -138.02 120.23 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -113.58 109.22 18.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.424 ' O ' ' HB ' ' A' ' 110' ' ' VAL . 62.9 mt -115.96 114.41 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.1 m -131.3 138.47 49.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 108.295 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -100.57 142.85 31.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -136.88 134.56 36.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -98.19 135.25 40.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 23.1 m170 -88.85 155.62 19.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.647 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -77.01 -6.13 51.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.228 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.38 -4.61 57.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.68 -1.47 78.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -96.41 132.56 26.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.308 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.01 128.37 11.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.556 ' NE2' HG23 ' A' ' 17' ' ' THR . 6.1 t-80 -112.68 152.86 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -130.44 141.12 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.888 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -126.14 141.59 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.616 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.929 HD12 ' OH ' ' A' ' 18' ' ' TYR . 50.3 mt -142.04 139.63 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 tm? -138.66 111.05 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.442 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 1.5 mt -114.97 149.74 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.546 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.88 116.19 13.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.243 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.42 ' CE2' HG21 ' A' ' 37' ' ' THR . 55.8 m-85 -91.48 156.89 17.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -33.37 73.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.51 157.47 19.62 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.542 1.151 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -58.78 119.6 7.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 0.729 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 5.0 t80 -97.93 142.1 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.521 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 4.7 t-20 -99.46 106.2 18.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.195 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.768 ' SG ' HG21 ' A' ' 91' ' ' ILE . 49.2 t -98.88 67.81 1.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.5 t -96.89 31.79 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -161.39 117.37 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -87.77 37.35 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.379 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -115.2 -20.61 10.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.618 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.4 t80 -76.15 -37.71 57.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CE1' HD21 ' A' ' 16' ' ' LEU . 32.1 m-85 -88.35 12.38 14.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -66.78 110.0 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.506 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.4 mt -110.04 136.91 48.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.0 m -123.67 164.68 21.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.47 ' O ' ' O ' ' A' ' 83' ' ' ARG . 22.7 t -85.17 119.01 72.0 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -8.49 20.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -18.38 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 80' ' ' SER . 12.7 ttt180 -132.97 142.99 49.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.05 55.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.73 142.5 50.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -108.59 147.23 32.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.685 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 20.4 m-85 -126.09 133.84 51.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.35 100.84 43.17 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.553 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.06 160.77 39.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -101.02 120.72 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.768 HG21 ' SG ' ' A' ' 70' ' ' CYS . 1.0 OUTLIER -87.41 128.78 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -135.41 133.34 38.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.04 122.76 7.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.593 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -77.04 113.86 15.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.26 -9.19 38.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.429 ' CB ' ' HB2' ' A' ' 99' ' ' ASP . 3.1 m -105.88 167.72 9.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.817 ' O ' HG22 ' A' ' 100' ' ' VAL . 35.0 p -116.23 -44.98 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.635 1.209 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -81.06 -29.76 34.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.951 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.429 ' HB2' ' CB ' ' A' ' 96' ' ' SER . 38.6 t70 -45.39 -24.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 97' ' ' SER . 23.5 m -67.59 -42.97 87.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -58.88 -38.54 79.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -57.72 -46.63 84.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -71.45 -33.71 69.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.07 -32.95 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.39 -24.59 64.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -74.88 69.21 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -83.0 -172.96 4.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.17 81.92 0.65 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.3 67.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.772 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 1.2 m -140.89 163.58 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.656 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.6 tt -104.86 147.6 27.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.656 ' N ' HD23 ' A' ' 111' ' ' LEU . 10.0 mt-10 -131.74 124.15 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.664 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 14.4 t90 -134.08 153.54 51.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 108.001 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.664 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.73 176.64 3.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.44 1.088 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.44 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -124.36 122.69 38.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.386 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.3 t80 -79.86 149.07 31.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.698 ' HG2' HD23 ' A' ' 42' ' ' LEU . 39.9 mm-40 -95.61 74.12 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.1 mm -79.36 134.64 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.02 119.42 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -162.97 -79.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 110.257 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.27 168.16 29.5 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -131.97 137.18 47.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 0.807 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 12.1 t80 -78.27 102.72 7.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.31 110.3 10.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.954 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.416 HD11 ' HE1' ' A' ' 7' ' ' PHE . 60.3 mt -103.98 134.56 44.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.96 111.78 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.21 163.65 28.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 64' ' ' PHE . 12.0 ttmt -83.67 -31.93 25.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.8 m-80 -114.45 146.88 40.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 4.1 m-85 -133.14 139.8 47.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.531 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 17.6 m-85 -120.0 121.7 39.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.3 mm? -104.9 133.7 49.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 m -121.84 118.66 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.444 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.524 ' OH ' HD12 ' A' ' 60' ' ' ILE . 20.0 m-85 -107.77 102.96 47.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' C ' ' CG ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.05 129.9 12.73 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.472 1.775 . . . . 0.0 110.943 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' CG ' ' C ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 43.28 56.41 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.6 t -114.29 123.83 50.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -86.89 14.21 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD21 HD22 ' A' ' 78' ' ' LEU . 19.0 tp -70.99 133.86 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.473 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.2 p -86.95 164.22 16.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.46 -28.31 63.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -48.89 73.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 6.1 m120 -67.25 -44.21 79.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.4 -33.4 75.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.671 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.4 tm? -69.34 -43.82 72.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -45.17 80.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.539 ' CD ' HD23 ' A' ' 78' ' ' LEU . 36.6 mt-30 -67.59 -48.59 66.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 7.3 mm -62.42 -45.8 97.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.64 ' OG1' HD22 ' A' ' 29' ' ' LEU . 69.0 m -63.23 -38.53 91.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.43 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -81.1 -9.16 59.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.585 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.61 118.82 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.4 pt20 -81.87 162.58 22.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.61 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.25 156.48 46.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.0 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.61 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -114.12 -107.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.592 ' H ' HG23 ' A' ' 39' ' ' THR . 0.5 OUTLIER -168.59 131.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.57 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 4.0 mtpp -80.41 120.87 25.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' CD1' ' OD1' ' A' ' 40' ' ' ASN . 1.0 OUTLIER -96.09 -85.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 48.1 t80 -102.64 154.67 18.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.658 HG12 HG23 ' A' ' 62' ' ' ILE . 99.7 mt -144.21 115.46 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.615 ' HE2' HG21 ' A' ' 110' ' ' VAL . 4.2 tttm -127.55 129.2 46.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.963 HG23 HG12 ' A' ' 60' ' ' ILE . 6.9 mt -125.88 116.59 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 39.3 t -122.58 136.37 54.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -100.23 143.18 30.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -138.23 133.45 33.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -98.49 135.23 40.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 31.7 m170 -88.04 154.33 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -73.97 -6.69 48.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -86.38 -0.85 56.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.42 5.82 84.49 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.442 1.089 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 16.2 pt-20 -96.37 125.92 45.77 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.506 0.768 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.67 8.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.465 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 6.3 t-80 -111.01 154.35 24.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.655 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.797 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -131.84 135.53 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.797 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -116.88 142.94 46.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.559 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.963 HG12 HG23 ' A' ' 46' ' ' ILE . 7.9 mt -140.44 137.39 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.531 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.24 110.15 7.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.658 HG23 HG12 ' A' ' 44' ' ' ILE . 6.3 mt -117.42 154.12 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -129.7 138.99 51.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.486 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 85.4 m-85 -116.74 148.02 41.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -33.52 74.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.19 157.15 20.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.33 109.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 0.728 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.537 ' HB2' HG21 ' A' ' 39' ' ' THR . 5.1 t80 -87.69 136.58 32.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -98.69 111.29 23.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.642 ' SG ' HD13 ' A' ' 91' ' ' ILE . 31.2 t -107.73 70.4 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 108.329 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.443 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.6 OUTLIER -92.48 29.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -161.94 120.12 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.675 ' HG2' HD12 ' A' ' 91' ' ' ILE . 12.6 mt-30 -86.99 44.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.43 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -117.1 -18.24 10.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.364 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.5 t80 -77.28 -40.23 45.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -87.91 13.05 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.637 1.211 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.43 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.1 m-20 -66.64 110.43 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.539 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -109.28 136.9 47.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 m -125.01 164.83 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 83' ' ' ARG . 42.7 t -85.08 117.68 69.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.95 17.44 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.24 -20.73 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 6.8 ttm180 -133.55 144.19 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -76.27 57.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.37 137.89 51.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.14 146.23 30.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 17.0 m-85 -126.19 130.35 50.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.9 101.34 43.91 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.486 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.98 159.48 41.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.803 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -87.17 122.58 31.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.675 HD12 ' HG2' ' A' ' 73' ' ' GLN . 62.0 mt -86.86 126.44 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -135.53 132.8 37.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.213 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.58 113.47 4.72 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.38 113.49 22.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -141.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 97' ' ' SER . 26.0 p -90.16 142.49 27.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.2 t 155.98 139.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.4 m -80.42 -6.26 57.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.036 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -44.88 -25.94 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.517 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 21.0 m -67.69 -42.25 86.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.233 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -63.64 -44.1 94.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.3 t -57.88 -47.33 83.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -68.03 -35.35 78.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.62 -35.56 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -72.11 -23.3 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -74.89 67.39 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.01 169.91 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.233 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 110' ' ' VAL . . . 147.37 96.68 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.7 OUTLIER 62.23 34.59 15.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.736 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.615 HG21 ' HE2' ' A' ' 45' ' ' LYS . 1.4 m -122.35 166.46 17.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.898 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.7 tt -105.14 146.7 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.898 ' N ' HD23 ' A' ' 111' ' ' LEU . 5.9 mt-10 -128.13 131.13 48.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.676 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 11.9 t90 -141.4 153.81 45.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.676 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.12 175.69 2.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.469 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -124.01 125.68 44.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 0.719 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.517 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 14.0 t80 -79.78 150.9 30.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.3 OUTLIER -149.1 122.8 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.3 mp -81.04 140.56 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -80.56 109.83 15.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.362 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 157.0 -111.57 0.49 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.419 1.074 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.76 . . . . 0.0 110.255 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 106.08 69.64 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -130.55 150.76 51.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.8 t80 -74.13 102.71 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.23 110.49 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.469 HD11 ' CE1' ' A' ' 7' ' ' PHE . 36.1 mt -102.54 134.47 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -135.07 111.66 9.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.418 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . . . -162.41 163.47 27.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.61 -32.57 25.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.693 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.8 m-80 -114.09 145.74 41.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -133.81 141.3 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 111.031 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 30.9 m-85 -120.14 121.68 39.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.2 mm? -104.17 134.19 47.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -121.65 118.45 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.624 ' CE2' HD13 ' A' ' 78' ' ' LEU . 17.6 m-85 -108.12 101.72 42.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.09 137.57 21.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.586 1.835 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.9 OUTLIER 39.2 47.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.498 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.3 t -105.74 120.62 42.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 108.289 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -86.81 14.29 7.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.597 1.186 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.402 HD21 HD22 ' A' ' 78' ' ' LEU . 20.7 tp -70.27 136.32 49.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.501 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.3 p -86.57 164.54 16.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.371 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -71.11 -28.64 64.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.17 -49.13 70.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.501 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 7.7 m120 -65.7 -43.99 87.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.493 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.75 -32.45 72.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -69.24 -45.03 70.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.433 ' N ' HD13 ' A' ' 29' ' ' LEU . 58.0 m -68.66 -43.11 76.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.563 ' O ' HD13 ' A' ' 35' ' ' LEU . 28.6 mt-30 -66.55 -48.12 70.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 28' ' ' ALA . 10.2 mm -65.12 -46.14 92.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.546 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.9 m -62.65 -35.2 78.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -83.59 -9.69 58.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.33 118.78 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.621 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.8 pt20 -80.3 161.98 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.573 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.42 155.24 45.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 17.9 Cg_endo -75.06 -6.36 17.93 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.515 1.798 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.658 HG21 ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -111.25 -108.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.597 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.6 OUTLIER -169.91 134.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 9.4 mttp -84.83 116.7 23.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.235 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.468 HD23 HE22 ' A' ' 63' ' ' GLN . 0.7 OUTLIER -88.36 -63.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.527 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 62.1 t80 -137.36 160.88 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.424 HG22 HG13 ' A' ' 46' ' ' ILE . 25.4 mt -136.27 132.16 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.546 ' HE2' HG21 ' A' ' 110' ' ' VAL . 14.1 tptm -123.12 106.17 10.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 41.0 mt -112.32 116.19 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.6 t -127.14 140.07 52.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.499 ' HA ' HD22 ' A' ' 58' ' ' LEU . 32.8 ttt180 -96.59 142.51 28.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.222 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.723 ' O ' HD22 ' A' ' 50' ' ' LEU . 21.0 tt0 -133.52 140.47 47.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.737 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.8 mm? -126.69 135.55 51.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.439 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 22.7 m170 -95.11 155.29 16.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.118 . . . . 0.0 109.591 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -77.11 -6.59 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.23 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.27 -3.28 58.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.35 4.98 73.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 19.0 pt-20 -96.29 120.52 62.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 110.291 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.737 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.0 149.88 37.32 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 7.6 t-80 -141.15 152.64 44.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.567 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.824 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -133.13 136.94 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.824 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.67 141.25 48.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.658 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.49 HD12 ' OH ' ' A' ' 18' ' ' TYR . 6.9 mt -141.88 134.73 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.445 1.091 . . . . 0.0 109.381 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.583 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -138.46 110.27 7.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.583 ' N ' HD22 ' A' ' 61' ' ' LEU . 1.6 mp -116.11 152.28 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.576 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.95 115.41 12.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 64.1 m-85 -91.35 155.51 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.33 -33.81 75.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.02 156.03 18.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' CD ' ' HA ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -59.35 111.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 0.803 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.658 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.6 t80 -89.74 140.13 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 5.2 t-20 -98.67 116.19 30.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.58 ' SG ' HD13 ' A' ' 91' ' ' ILE . 15.4 t -113.14 69.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.2 OUTLIER -91.45 22.07 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 110.392 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -154.27 120.3 5.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.794 ' HG2' HD12 ' A' ' 91' ' ' ILE . 26.8 mt-30 -86.55 44.02 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -118.39 -16.68 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.621 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.7 t80 -77.45 -40.32 43.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -88.15 12.34 13.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.423 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 56.4 m-20 -69.95 106.49 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.624 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -102.43 136.36 42.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.61 163.63 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.9 t -86.0 118.34 70.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -113.2 -20.66 11.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 21.3 tpp85 -133.52 144.51 49.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 0.0 110.324 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.44 56.62 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.96 136.1 49.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.68 147.1 32.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -126.34 133.86 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.88 101.28 49.25 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.512 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.93 160.28 40.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.38 122.9 31.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.794 HD12 ' HG2' ' A' ' 73' ' ' GLN . 31.4 mt -87.46 128.39 40.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -135.51 132.94 37.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.92 114.09 4.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.693 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.3 113.61 22.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -143.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.544 ' O ' ' CB ' ' A' ' 97' ' ' SER . 2.0 m -90.42 142.78 27.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.5 p 156.1 136.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.8 m -80.4 -7.08 58.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -44.93 -26.01 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.465 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.6 m -67.62 -44.97 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 98' ' ' SER . 42.8 tptt -64.16 -44.63 91.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.99 -48.28 80.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.947 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -66.92 -34.99 78.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.653 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 24.6 mt -64.61 -34.86 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -33.9 74.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -75.06 75.05 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -83.06 178.27 8.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.4 ' C ' HG13 ' A' ' 110' ' ' VAL . . . 146.52 97.18 0.2 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.634 1.208 . . . . 0.0 111.018 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.38 34.28 18.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.546 HG21 ' HE2' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -121.81 164.58 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.3 tt -104.91 145.52 30.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.535 ' N ' HD23 ' A' ' 111' ' ' LEU . 33.4 mt-10 -130.03 122.36 28.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.556 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.4 t90 -130.48 150.85 51.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.556 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.07 -177.81 18.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.16 116.78 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.414 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.653 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 3.9 t80 -79.59 148.11 31.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.03 139.08 27.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.24 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 101' ' ' LYS . 34.1 mm -83.5 134.72 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -84.58 -54.52 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 49.12 -173.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.163 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 110.324 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.35 67.01 0.89 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 -131.15 131.89 44.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 27.4 t80 -77.57 101.83 6.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.446 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.1 p -133.6 116.15 15.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.2 mt -109.13 133.79 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.23 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -134.98 111.19 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.43 163.65 27.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 109.372 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -85.69 -25.3 26.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.847 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 17.0 m-80 -120.5 139.74 52.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -133.05 143.5 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 23.6 m-85 -119.92 122.06 40.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.538 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.1 mm? -104.55 130.43 52.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.618 HG22 ' NE2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -119.01 130.39 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.543 ' CE2' HD13 ' A' ' 78' ' ' LEU . 24.9 m-85 -117.22 103.02 52.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 133.76 17.0 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 56' ' ' PRO . 38.5 tttt 39.48 52.98 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.396 1.06 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -112.4 121.88 46.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 108.327 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.99 15.16 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 tp -69.37 135.87 50.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.665 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.7 p -86.79 162.16 17.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HB3' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.59 -28.69 65.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.72 -48.08 75.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.665 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 1.9 m120 -68.19 -44.66 75.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' HA ' HD22 ' A' ' 78' ' ' LEU . . . -64.93 -37.24 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.709 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.22 -38.19 78.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -67.4 -45.81 75.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' ' 35' ' ' LEU . 3.2 mt-30 -70.42 -45.97 64.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.6 mm -61.62 -44.69 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.709 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.3 m -65.31 -39.12 92.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.46 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -81.1 -8.02 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -73.86 118.08 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.607 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 11.3 pt20 -77.93 162.55 26.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.699 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -147.36 160.36 39.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.97 -24.76 12.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.592 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.47 -101.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.592 ' H ' HG23 ' A' ' 39' ' ' THR . 10.7 t-20 -171.45 143.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.699 ' HG3' HG21 ' A' ' 37' ' ' THR . 3.6 mtpm? -91.11 126.98 36.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 117' ' ' GLN . 1.4 tp -103.87 -85.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -103.42 158.69 16.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.76 HG23 HG12 ' A' ' 62' ' ' ILE . 5.0 mt -141.87 130.2 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -126.93 111.77 14.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 25' ' ' LYS . 39.1 mt -121.04 115.01 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 t -134.27 138.55 45.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.238 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -97.05 143.42 27.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 57' ' ' HIS . 11.4 tp10 -140.23 133.9 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.58 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.5 mm? -97.22 134.93 39.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -88.63 156.33 19.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -75.25 -6.8 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -84.64 0.03 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 2.09 89.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.46 125.06 48.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.98 123.86 8.21 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.618 ' NE2' HG22 ' A' ' 17' ' ' THR . 4.8 t-80 -118.48 156.92 28.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.466 HD21 HG23 ' A' ' 46' ' ' ILE . 4.4 tt -132.28 140.25 48.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.41 ' CE1' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -112.81 141.78 46.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.538 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.468 HD12 ' OH ' ' A' ' 18' ' ' TYR . 8.7 mt -142.19 135.59 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 tm? -138.25 110.4 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.76 HG12 HG23 ' A' ' 44' ' ' ILE . 3.7 mt -116.96 149.22 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -135.71 118.64 16.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -91.49 158.26 16.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.25 -34.02 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.54 162.9 22.15 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -58.78 111.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.549 ' HB2' HG21 ' A' ' 39' ' ' THR . 1.9 t80 -88.12 141.25 28.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.35 111.53 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.505 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.1 t -112.91 70.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.248 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.446 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.7 t -94.7 31.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -157.69 125.39 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.553 ' HA ' HD11 ' A' ' 91' ' ' ILE . 19.9 mt-30 -91.48 36.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.415 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 8.6 mtt180 -116.67 -16.34 10.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 9.9 t80 -76.55 -39.41 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CE1' HD21 ' A' ' 16' ' ' LEU . 20.9 m-85 -87.83 12.71 12.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.18 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.415 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.7 m-20 -66.75 106.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -106.71 136.96 45.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 86' ' ' HIS . 2.7 m -122.47 165.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 83' ' ' ARG . 40.1 t -84.79 118.87 71.95 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 -4.49 15.46 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.0 p -113.2 -20.98 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 80' ' ' SER . 5.9 ttm180 -133.77 145.65 50.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.34 54.93 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 109.966 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.24 132.42 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.42 ' CE1' HG11 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -102.17 146.04 28.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.576 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -126.29 137.09 53.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 100.67 53.81 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.609 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.534 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.07 160.75 39.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.33 125.27 34.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' A' ' 73' ' ' GLN . 72.3 mt -88.4 127.52 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -135.42 132.94 38.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.0 113.84 4.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.847 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.35 113.37 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -69.68 -140.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 97' ' ' SER . 88.4 p -90.1 142.36 27.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.618 1.199 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 155.23 138.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 101' ' ' LYS . 3.0 m -80.28 -6.6 58.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -44.74 -26.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.601 1.188 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.447 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.4 m -68.51 -44.39 83.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -58.82 -42.39 89.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -49.45 76.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.18 -35.21 80.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.55 HD11 ' CE2' ' A' ' 116' ' ' PHE . 74.9 mt -68.04 -35.66 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -23.68 61.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -74.91 67.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -83.02 167.51 17.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 144.16 74.57 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 2.1 m-20 77.49 62.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.777 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -140.82 163.39 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.543 HD13 ' CB ' ' A' ' 29' ' ' LEU . 3.7 tt -105.02 114.76 29.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -108.65 135.64 49.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 5.5 t90 -138.49 146.18 41.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.167 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.636 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.54 -176.84 18.71 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.457 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.0 m -123.98 128.7 49.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.39 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.55 ' CE2' HD11 ' A' ' 104' ' ' ILE . 5.0 t80 -79.9 149.56 30.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.672 ' HG2' HD23 ' A' ' 42' ' ' LEU . 45.4 mm-40 -105.13 97.12 7.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.0 mp -84.51 112.26 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -85.62 -55.29 4.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.31 -164.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 110.244 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.34 128.21 4.08 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.593 1.183 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.75 156.27 46.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 110.244 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 11.1 t80 -79.21 102.86 8.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.21 110.93 10.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.948 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mt -106.52 134.16 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.45 110.4 9.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.37 163.82 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -86.69 -24.19 25.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.806 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.5 m-80 -114.72 137.03 52.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.062 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.7 m-85 -133.63 136.1 44.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.575 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 51.5 m-85 -120.3 127.7 52.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.691 ' N ' HD22 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -105.36 133.08 50.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.027 HG23 ' CE1' ' A' ' 57' ' ' HIS . 91.5 m -120.75 117.93 28.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.366 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.643 ' CE2' HD13 ' A' ' 78' ' ' LEU . 13.4 m-85 -109.78 102.97 52.14 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.96 136.44 20.49 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.54 1.811 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.6 tttp 39.73 48.62 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.195 . . . . 0.0 109.376 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.2 t -106.4 118.61 37.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 108.312 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.11 15.29 6.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 HD22 ' A' ' 78' ' ' LEU . 22.5 tp -65.85 137.2 57.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.234 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.71 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 9.8 p -83.83 163.94 19.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.58 ' CG ' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.82 -30.13 66.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -66.52 -42.46 87.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 0.0 110.321 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.71 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -71.54 -42.89 67.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.542 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.78 -40.75 79.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.637 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.5 tm? -69.2 -41.69 76.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 17.9 t -67.43 -45.88 74.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.639 ' O ' HD13 ' A' ' 35' ' ' LEU . 34.6 mt-30 -66.76 -48.27 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.447 HG13 HD13 ' A' ' 60' ' ' ILE . 13.2 mm -62.99 -45.86 97.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.637 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.9 m -63.77 -38.04 89.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.404 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.4 m120 -81.12 -10.02 59.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.62 118.95 18.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.636 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -81.46 163.02 23.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.584 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -146.67 157.08 48.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.48 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.03 -2.7 12.88 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.454 1.765 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.592 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -116.64 -107.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.592 ' N ' ' OG1' ' A' ' 39' ' ' THR . 10.1 t-20 -169.52 139.77 2.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HG3' HG21 ' A' ' 37' ' ' THR . 9.3 mttp -90.92 152.34 20.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 65' ' ' GLU . 6.0 mp -130.77 -85.46 0.52 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 41.6 t80 -102.38 150.73 23.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.647 HD12 ' CE3' ' A' ' 113' ' ' TRP . 81.1 mt -140.06 116.75 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -116.95 120.74 39.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 29' ' ' LEU . 54.2 mt -119.61 116.26 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.34 139.1 53.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 108.253 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HA ' HD22 ' A' ' 58' ' ' LEU . 1.5 ttt180 -96.88 144.09 27.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 26.0 tt0 -134.31 134.24 41.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -96.61 135.19 38.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -91.65 155.75 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 109.663 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -73.47 -6.81 48.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -88.35 -0.72 57.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.96 6.92 86.23 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 20.0 pt-20 -96.11 129.94 32.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.36 0.683 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.11 123.47 7.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 1.027 ' CE1' HG23 ' A' ' 17' ' ' THR . 7.9 t60 -111.76 150.44 30.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -126.46 141.59 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.894 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -122.32 146.26 47.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.531 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.616 HD12 ' OH ' ' A' ' 18' ' ' TYR . 41.3 mt -140.73 140.39 33.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.575 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.57 110.76 7.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.491 HD11 ' CG2' ' A' ' 60' ' ' ILE . 2.2 mt -120.37 153.23 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.71 125.87 26.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.245 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -101.9 157.76 16.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.528 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 1.1 tm-20 -60.67 -34.06 73.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.69 157.86 21.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -59.25 117.1 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 0.816 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.434 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 4.4 t80 -92.27 142.54 27.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -100.47 106.54 18.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.921 ' SG ' HD13 ' A' ' 91' ' ' ILE . 7.3 t -101.68 68.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.332 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.4 t -94.87 30.52 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -163.49 116.12 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.563 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -84.67 44.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 2.4 mmm180 -117.85 -19.83 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.636 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.6 t80 -77.03 -39.48 49.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.512 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.2 m-85 -88.26 12.47 13.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.42 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.1 m-20 -67.76 106.14 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.643 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -103.58 136.09 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.59 163.62 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 83' ' ' ARG . 22.8 t -86.12 118.36 70.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.446 1.761 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.84 -20.7 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 16.8 ttt180 -133.6 144.26 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.42 57.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.96 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.74 135.74 48.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.75 147.0 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -126.42 133.01 51.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -107.97 102.02 43.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.444 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.07 157.42 42.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.386 1.729 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.92 123.43 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.921 HD13 ' SG ' ' A' ' 70' ' ' CYS . 11.8 mt -86.87 128.27 39.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -135.19 132.98 38.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.56 123.12 7.83 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.806 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -76.81 113.4 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 0.787 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -4.69 35.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.43 ' CB ' ' HB3' ' A' ' 99' ' ' ASP . 3.6 m -100.61 175.51 5.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.923 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.631 ' O ' HG22 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -121.98 -58.94 1.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 110.024 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.1 m -80.17 -25.86 39.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.43 ' HB3' ' CB ' ' A' ' 96' ' ' SER . 33.8 t70 -45.41 -24.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 97' ' ' SER . 18.0 m -67.84 -45.17 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' SER . 18.6 tptm -56.7 -40.26 75.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -45.44 85.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -71.33 -33.82 69.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 19.3 mt -59.98 -32.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.53 -29.87 70.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -74.16 71.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.06 -174.63 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.28 83.94 0.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.65 76.11 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 0.768 . . . . 0.0 109.249 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -140.9 163.4 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.45 ' N ' HG23 ' A' ' 110' ' ' VAL . 5.9 tt -104.77 128.45 52.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.42 ' N ' HD23 ' A' ' 111' ' ' LEU . 3.5 tt0 -106.77 125.04 50.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.647 ' CE3' HD12 ' A' ' 44' ' ' ILE . 11.0 t90 -141.23 138.14 33.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.69 176.37 29.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -125.39 127.44 46.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 7.3 t80 -79.72 150.9 30.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.415 ' N ' ' CD1' ' A' ' 116' ' ' PHE . 53.2 mm-40 -94.03 75.12 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.5 mm -79.46 118.11 26.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.71 170.06 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -179.66 159.34 23.8 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.55 1.156 . . . . 0.0 111.048 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.0 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.85 -66.39 0.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.569 1.168 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -123.73 157.98 32.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 0.803 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 16.1 t80 -74.01 102.59 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.404 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.8 OUTLIER -132.62 116.42 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.2 mt -107.18 135.14 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HE2' HD21 ' A' ' 69' ' ' ASN . 0.1 OUTLIER -134.84 110.97 9.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.53 27.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 64' ' ' PHE . 19.6 ttpt -85.78 -31.64 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.38 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.732 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.8 m-80 -114.63 141.85 47.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.4 m-85 -132.96 142.33 48.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.573 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 20.4 m-85 -120.08 121.9 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.629 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.4 mm? -104.77 136.32 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.534 HG23 ' NE2' ' A' ' 57' ' ' HIS . 16.8 m -122.55 120.04 32.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.857 ' OH ' HD12 ' A' ' 60' ' ' ILE . 21.1 m-85 -106.85 102.2 41.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.97 132.61 15.67 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.452 1.764 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 13.2 pttt 37.35 52.16 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.7 t -106.92 125.37 50.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.81 12.93 9.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -71.16 135.51 47.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.708 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.8 p -86.92 161.2 18.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.143 . . . . 0.0 110.454 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB3' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.17 -28.75 65.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -47.74 72.74 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.708 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.6 m120 -66.32 -43.92 84.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -68.85 -34.03 74.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 1.095 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.571 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.26 -43.02 74.77 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.418 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -69.03 -44.93 71.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.11 . . . . 0.0 110.093 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.573 ' CD ' HD23 ' A' ' 78' ' ' LEU . 57.4 mt-30 -66.05 -48.83 69.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.463 HG21 HD11 ' A' ' 62' ' ' ILE . 3.6 mm -63.46 -45.68 97.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.571 ' OG1' HD22 ' A' ' 29' ' ' LEU . 52.3 m -65.05 -35.35 80.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.3 m120 -86.78 -4.53 59.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 75' ' ' PHE . 1.8 tp -74.91 141.06 44.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.7 OUTLIER -90.79 161.41 15.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.471 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -149.58 150.63 31.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.06 -3.76 14.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.529 1.805 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.643 HG21 ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -118.05 -107.76 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.489 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.587 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t-20 -168.2 134.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.396 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HG3' HG21 ' A' ' 37' ' ' THR . 7.3 mtpp -84.58 118.44 24.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -90.63 -59.96 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 62' ' ' ILE . 66.1 t80 -137.44 157.69 46.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.03 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mt -137.96 128.37 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -123.01 123.95 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.58 HG23 HD21 ' A' ' 58' ' ' LEU . 18.3 mt -128.74 116.95 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.05 137.7 49.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.448 ' CD ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -96.82 143.77 27.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 57' ' ' HIS . 7.4 tp10 -143.07 133.88 25.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -97.7 135.13 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -87.75 156.1 19.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.74 -6.83 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.79 0.22 53.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.86 4.08 88.92 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -96.35 130.15 31.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.452 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.7 Cg_endo -74.92 123.58 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.534 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.7 t-80 -117.18 154.42 31.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.604 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.58 HD21 HG23 ' A' ' 46' ' ' ILE . 4.1 tt -136.57 142.11 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.446 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -117.53 146.01 43.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.645 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.857 HD12 ' OH ' ' A' ' 18' ' ' TYR . 19.0 mt -142.06 137.19 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.573 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -138.49 110.19 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.532 ' N ' HD22 ' A' ' 61' ' ' LEU . 5.3 mt -117.63 150.37 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.578 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.07 117.39 14.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.384 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.463 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 51.8 m-85 -91.14 155.79 18.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.723 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.29 -33.62 73.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.344 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.21 162.84 18.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -59.21 112.44 1.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 0.792 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.643 ' HB2' HG21 ' A' ' 39' ' ' THR . 1.2 t80 -90.07 135.54 33.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.494 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 4.6 t-20 -96.88 120.05 36.49 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.543 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.2 t -119.36 69.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 108.361 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.404 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.5 t -93.93 30.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -159.22 127.93 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.699 ' HA ' HD11 ' A' ' 91' ' ' ILE . 7.3 mt-30 -88.59 31.94 0.81 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.474 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 4.9 mmt85 -114.32 -9.6 12.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.0 t80 -77.42 -39.4 47.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.629 ' CE1' HD21 ' A' ' 16' ' ' LEU . 36.0 m-85 -91.7 14.5 15.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.474 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 60.3 m-20 -65.66 106.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.573 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.1 mt -111.13 137.73 48.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.552 HG11 ' CE1' ' A' ' 86' ' ' HIS . 3.7 m -122.57 164.2 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 14.8 t -85.55 118.42 70.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.26 12.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.458 1.768 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.8 p -114.45 -20.61 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' SER . 1.4 ttt180 -133.53 145.38 50.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.69 54.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.72 133.82 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.552 ' CE1' HG11 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -101.37 146.67 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.5 m-85 -126.29 137.75 53.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -121.83 100.03 43.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.57 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.06 166.19 29.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.969 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.83 127.45 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 73' ' ' GLN . 14.2 mt -88.29 130.81 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.206 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -135.28 132.69 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.57 113.99 4.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.16 . . . . 0.0 111.044 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.732 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.42 113.32 22.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 0.744 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -138.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.2 OUTLIER -91.5 142.62 27.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.5 OUTLIER 155.78 134.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.0 m -80.3 -6.59 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -44.51 -26.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 98' ' ' SER . 13.6 m -67.81 -45.25 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 98' ' ' SER . 47.0 tptt -58.65 -45.87 88.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -50.35 73.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.507 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 15.7 t80 -62.74 -33.38 75.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.561 HD11 ' CE2' ' A' ' 116' ' ' PHE . 45.2 mt -67.38 -36.53 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.67 -20.55 64.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -74.9 68.58 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.63 163.96 21.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 136.97 98.65 0.51 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 60.4 m-20 63.14 49.77 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.529 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -136.07 166.57 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -129.87 114.8 16.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.582 ' N ' HD23 ' A' ' 111' ' ' LEU . 2.1 pm0 -115.69 146.03 42.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.217 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 23.4 t90 -129.72 154.26 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.606 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 70.4 -172.84 41.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.422 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.1 m -124.16 122.75 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 110.358 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.578 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 19.9 t80 -79.73 151.03 30.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.3 OUTLIER -149.65 141.69 23.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 118' ' ' ILE . 4.4 mp -96.93 111.77 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.77 160.3 32.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.09 -106.57 2.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.61 -138.5 2.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.62 143.32 50.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.583 0.814 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.468 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 16.6 t80 -78.41 103.71 8.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.54 110.97 10.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.5 mt -106.32 134.23 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.53 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -135.49 109.69 8.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.29 164.1 27.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -24.96 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.209 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.976 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.6 m-80 -113.87 138.79 49.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -133.75 135.51 43.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.596 ' CE1' ' HB2' ' A' ' 94' ' ' ALA . 35.5 m-85 -120.69 122.71 41.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.68 138.33 40.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.485 HG23 ' NE2' ' A' ' 57' ' ' HIS . 15.6 m -125.95 119.78 28.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.566 ' OH ' HD12 ' A' ' 60' ' ' ILE . 12.4 m-85 -109.89 102.32 50.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 137.54 21.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER 38.32 46.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.3 t -105.52 120.96 42.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.409 1.068 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.99 14.96 6.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 tp -70.29 135.51 48.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.673 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -86.49 162.61 17.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.67 -28.93 65.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -47.95 75.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.673 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.1 m120 -67.77 -44.09 78.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.521 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -65.84 -38.84 89.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.745 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.5 tm? -69.24 -37.16 77.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.43 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 78.7 p -67.88 -45.84 73.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.583 ' O ' HD13 ' A' ' 35' ' ' LEU . 41.0 mt-30 -71.16 -46.54 61.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 10.0 mm -61.75 -46.79 95.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.745 ' HG1' HD22 ' A' ' 29' ' ' LEU . 69.2 m -63.76 -35.27 80.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 30' ' ' SER . 61.1 m-20 -83.07 -10.4 58.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.63 118.78 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.661 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 4.1 mt-30 -82.07 162.24 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.713 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.44 157.15 45.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.07 -2.98 13.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.713 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.2 OUTLIER -113.49 -108.74 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.633 ' H ' HG23 ' A' ' 39' ' ' THR . 0.8 OUTLIER -170.07 133.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 6.7 mtpp -87.52 126.95 35.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.514 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.7 mp -103.27 -87.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.482 ' HB2' ' CA ' ' A' ' 116' ' ' PHE . 57.2 t80 -102.71 156.0 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.632 HD12 ' CE3' ' A' ' 113' ' ' TRP . 82.9 mt -139.42 115.17 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.739 ' NZ ' HG21 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -111.35 126.77 55.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.563 HG21 ' HB2' ' A' ' 25' ' ' LYS . 54.5 mt -129.26 115.46 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.9 t -123.82 136.91 54.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 108.327 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -101.48 142.65 32.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' A' ' 50' ' ' LEU . 8.6 tp10 -145.12 134.37 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.858 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.2 mm? -98.57 134.76 41.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 38.7 m170 -80.83 153.58 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.05 -6.96 50.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.612 1.195 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -84.69 -0.49 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.62 3.07 84.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 20.8 pt-20 -96.63 132.78 25.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.858 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 131.94 14.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.485 ' NE2' HG23 ' A' ' 17' ' ' THR . 6.3 t-80 -120.71 153.21 37.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.637 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.856 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -131.77 138.81 48.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.856 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -121.01 135.46 55.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.617 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.566 HD12 ' OH ' ' A' ' 18' ' ' TYR . 15.3 mt -136.47 137.06 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.57 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.4 tm? -138.84 110.6 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.535 HG23 HG12 ' A' ' 44' ' ' ILE . 3.4 mt -114.99 151.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.574 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.78 129.62 32.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -103.94 156.51 17.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -61.48 -33.85 74.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.55 158.54 19.92 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -59.9 118.89 6.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.594 ' HB2' HG21 ' A' ' 39' ' ' THR . 8.6 t80 -98.71 144.72 27.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.53 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.5 t-20 -102.88 117.24 34.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.687 ' SG ' HD13 ' A' ' 91' ' ' ILE . 5.9 t -111.53 70.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.458 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.6 OUTLIER -94.26 30.2 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -163.02 117.32 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -87.05 44.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.405 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 3.8 mtp85 -118.33 -17.32 9.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.661 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 24.5 t80 -77.05 -39.15 51.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.586 ' O ' HD12 ' A' ' 78' ' ' LEU . 16.3 m-85 -87.85 12.8 12.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.405 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 67.0 m-20 -66.93 105.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -107.04 139.5 41.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 m -123.25 163.92 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.4 t -85.78 118.83 71.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.415 1.745 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.9 p -111.59 -20.61 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.43 143.01 48.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.03 56.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.0 143.25 50.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.22 147.92 30.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.534 1.146 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 12.1 m-85 -126.17 131.55 52.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.62 101.68 44.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.0 151.41 39.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.813 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -87.66 125.53 34.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.687 HD13 ' SG ' ' A' ' 70' ' ' CYS . 8.1 mt -89.44 129.26 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.3 133.12 38.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.51 122.56 6.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.976 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -76.79 113.43 14.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -87.83 44.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -132.56 176.01 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 m -107.99 -97.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.938 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.8 m -80.61 -8.18 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.049 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -44.84 -27.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.375 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.578 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 5.7 m -67.56 -44.53 86.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -55.16 -40.82 71.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.82 85.21 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.957 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -71.2 -32.96 69.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 101' ' ' LYS . 90.7 mt -59.75 -34.36 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -32.27 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -72.09 66.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.11 -177.82 6.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.37 91.23 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 60.41 35.27 20.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.739 HG21 ' NZ ' ' A' ' 45' ' ' LYS . 1.3 m -112.43 164.41 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 112' ' ' GLU . 9.9 tt -105.41 148.98 26.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.638 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -135.29 131.67 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.632 ' CE3' HD12 ' A' ' 44' ' ' ILE . 5.2 t90 -141.23 154.53 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 108.028 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.583 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 64.64 177.71 5.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.7 m -126.44 130.1 50.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 0.818 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.578 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 4.9 t80 -80.04 147.51 31.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.475 ' HB2' ' CD2' ' A' ' 42' ' ' LEU . 1.2 mt-30 -133.14 113.87 13.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.8 mt -90.88 146.44 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -83.28 128.89 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 111.63 -87.49 0.47 Allowed Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 110.332 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 51.04 176.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.593 1.183 . . . . 0.0 111.031 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -131.93 154.76 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.35 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 9.8 t80 -78.75 102.42 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -132.7 113.67 13.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' A' ' 7' ' ' PHE . 27.9 mt -108.53 133.8 52.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.52 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -134.99 111.18 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.24 28.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -84.31 -26.82 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.891 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 22.7 m-80 -118.37 142.18 47.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.52 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.9 m-85 -131.79 142.46 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.731 ' CE1' HD23 ' A' ' 61' ' ' LEU . 31.8 m-85 -120.11 123.66 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.2 mm? -104.94 132.94 50.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.787 HG23 ' NE2' ' A' ' 57' ' ' HIS . 99.3 m -125.14 122.27 36.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.439 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.664 ' HE2' HD13 ' A' ' 78' ' ' LEU . 11.9 m-85 -108.17 102.81 47.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 133.12 16.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' CG ' ' HD2' ' A' ' 56' ' ' PRO . 6.3 tttp 39.62 51.46 2.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -111.79 125.53 54.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.241 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.07 15.29 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.46 135.52 48.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.415 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.5 p -86.96 164.88 16.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.56 -28.89 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.69 -48.25 72.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.428 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 8.2 m120 -66.35 -44.81 82.2 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.81 -34.8 77.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.62 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.1 tm? -69.1 -43.16 75.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.412 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 3.4 t -67.84 -45.73 73.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.951 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.492 ' O ' HD13 ' A' ' 35' ' ' LEU . 6.2 mt-30 -66.74 -46.8 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.2 mm -64.65 -45.95 93.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.62 ' HG1' HD22 ' A' ' 29' ' ' LEU . 54.0 m -63.22 -39.32 94.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.2 m120 -79.78 -9.29 59.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.44 117.96 16.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.644 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -79.19 161.06 26.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.684 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.79 154.96 44.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.465 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.478 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.06 -3.72 14.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.544 1.812 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.684 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -111.37 -108.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.3 OUTLIER -169.59 132.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.529 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.2 mtpp -90.18 124.44 34.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.672 HD11 ' N ' ' A' ' 65' ' ' GLU . 4.4 mp -104.63 -84.46 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' A' ' 116' ' ' PHE . 53.3 t80 -102.75 152.1 21.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 62' ' ' ILE . 67.8 mt -141.22 116.71 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -113.0 128.33 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.23 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 29' ' ' LEU . 62.4 mt -128.67 116.29 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -127.5 135.04 49.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.17 . . . . 0.0 108.287 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -96.52 143.7 27.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.387 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 57' ' ' HIS . 8.5 tp10 -141.9 133.46 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -97.87 135.03 40.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.414 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 52.3 m170 -86.44 153.64 21.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.42 -6.74 48.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -86.15 0.33 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.42 4.87 87.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 12.8 pt-20 -96.26 126.94 42.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.556 0.798 . . . . 0.0 110.237 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.07 123.63 7.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.787 ' NE2' HG23 ' A' ' 17' ' ' THR . 2.7 t-80 -119.89 155.52 32.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.521 HD21 HG23 ' A' ' 46' ' ' ILE . 4.2 tt -136.23 141.8 43.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -116.25 146.56 42.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.582 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.651 HD12 ' OH ' ' A' ' 18' ' ' TYR . 8.3 mt -142.04 139.97 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.731 HD23 ' CE1' ' A' ' 15' ' ' PHE . 1.2 tm? -138.37 110.55 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.645 HG23 HG12 ' A' ' 44' ' ' ILE . 2.6 mt -119.63 154.21 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -133.31 142.08 48.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.506 ' CD1' HG23 ' A' ' 39' ' ' THR . 88.0 m-85 -118.26 156.24 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.672 ' N ' HD11 ' A' ' 42' ' ' LEU . 1.4 tm-20 -66.21 -33.25 75.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.03 154.01 17.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.162 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -58.7 112.21 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.794 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.52 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 5.1 t80 -88.26 142.25 27.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.52 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 4.9 t-20 -104.06 109.34 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.601 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.4 t -108.2 70.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.356 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 2.3 t -96.72 32.19 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -168.38 113.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -76.42 54.81 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.404 ' HA ' ' OD2' ' A' ' 77' ' ' ASP . 11.0 mmt180 -119.76 -24.52 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.623 1.202 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.644 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.6 t80 -76.5 -39.49 52.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -87.93 13.14 11.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 70.0 m-20 -66.6 107.46 2.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.664 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -108.81 136.18 48.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 m -128.45 164.77 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 83' ' ' ARG . 44.3 t -85.14 118.92 71.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.5 20.14 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -18.32 13.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 80' ' ' SER . 4.6 ttp180 -132.91 143.44 49.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.9 t -77.37 55.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.26 136.76 51.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.45 143.33 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -126.53 133.94 51.0 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.4 ' ND1' ' C ' ' A' ' 88' ' ' HIS . 0.2 OUTLIER -113.66 101.61 53.93 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.599 1.187 . . . . 0.0 109.585 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.04 161.93 37.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -87.12 124.99 33.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.601 HD13 ' SG ' ' A' ' 70' ' ' CYS . 10.4 mt -92.29 130.92 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.8 mm-40 -135.11 133.22 39.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.74 114.3 4.51 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.891 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.18 113.16 21.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -62.01 -152.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.547 ' O ' ' CB ' ' A' ' 97' ' ' SER . 1.0 OUTLIER -87.81 142.46 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.386 1.054 . . . . 0.0 110.021 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.8 p 155.05 143.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 p -80.43 -5.93 57.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -44.78 -26.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.58 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 19.4 m -67.95 -42.05 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 98' ' ' SER . 1.4 tmmm? -61.26 -42.51 98.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -44.24 84.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.429 1.081 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.474 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 43.4 t80 -71.18 -33.82 70.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.417 ' CD1' ' CD1' ' A' ' 116' ' ' PHE . 71.5 mt -65.78 -40.02 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -19.68 65.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -74.88 67.03 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.84 173.05 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 127.98 98.56 0.97 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.8 OUTLIER 62.53 45.57 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.458 HG21 ' CE ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -132.71 161.85 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.576 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.6 tt -104.88 126.56 52.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.576 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.3 mp0 -116.87 126.19 52.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.426 ' CE3' HD12 ' A' ' 44' ' ' ILE . 11.9 t90 -133.87 137.17 44.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.12 -176.83 46.4 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.505 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -125.29 137.38 54.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 0.735 . . . . 0.0 110.424 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.58 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 27.4 t80 -79.94 150.53 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 115' ' ' THR . 20.5 mp0 -114.36 136.54 52.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.9 mm -83.7 122.82 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.75 96.85 1.79 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.075 . . . . 0.0 109.353 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -177.84 177.31 48.34 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.52 151.7 7.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.75 140.5 32.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 9.9 t80 -74.27 102.39 4.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.409 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -132.73 115.32 15.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.448 HD11 ' CE1' ' A' ' 7' ' ' PHE . 22.0 mt -107.37 133.6 51.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -134.78 111.81 10.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.19 163.5 28.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -33.98 26.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.905 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.0 m-80 -114.49 144.91 42.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 9.1 m-85 -132.16 141.68 49.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.559 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 22.5 m-85 -118.33 121.12 39.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.508 ' N ' HD22 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -104.63 130.05 52.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 m -118.8 127.05 53.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.864 ' OH ' HD12 ' A' ' 60' ' ' ILE . 2.7 m-85 -117.39 103.14 51.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.93 135.33 19.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 37.77 49.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.4 t -103.32 122.73 45.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 108.285 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.77 13.62 8.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -71.04 135.01 47.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.63 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.2 p -86.49 156.38 20.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.482 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.02 -29.13 70.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -47.77 74.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.63 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.2 m120 -67.68 -43.85 79.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.12 -37.23 83.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 1.061 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.632 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.4 tm? -69.04 -41.1 78.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 1.1 p -68.55 -45.86 71.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.527 ' O ' HD13 ' A' ' 35' ' ' LEU . 8.2 mt-30 -67.74 -46.56 71.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm -63.84 -46.18 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.632 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.4 m -63.78 -38.39 90.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.6 m120 -80.99 -9.04 59.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.7 118.64 17.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.634 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 7.9 tt0 -80.18 162.53 24.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.564 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -147.15 157.4 46.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.393 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.755 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.61 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -115.66 -107.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.61 ' H ' HG23 ' A' ' 39' ' ' THR . 10.3 t-20 -168.43 137.12 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HG3' HG21 ' A' ' 37' ' ' THR . 7.4 mtpp -90.27 121.2 32.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.38 -86.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' C ' HG13 ' A' ' 44' ' ' ILE . 52.2 t80 -103.42 157.69 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.401 HG13 ' C ' ' A' ' 43' ' ' PHE . 75.3 mt -142.16 116.58 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HE2' HG21 ' A' ' 110' ' ' VAL . 3.0 tptt -111.85 124.37 52.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.473 HG23 HG12 ' A' ' 60' ' ' ILE . 39.4 mt -128.78 115.92 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -127.43 137.95 52.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 108.297 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.577 ' HD2' HD23 ' A' ' 58' ' ' LEU . 3.1 ttt-85 -99.96 140.8 33.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 50' ' ' LEU . 11.6 tp10 -149.43 133.53 17.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 9.8 mp -98.97 135.42 40.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.543 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 58.5 m170 -80.74 156.06 26.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.5 -6.59 31.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -82.33 0.87 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.08 2.22 90.59 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.402 1.064 . . . . 0.0 110.987 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 11.4 pt-20 -96.37 134.14 23.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.437 0.727 . . . . 0.0 110.361 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.0 123.46 7.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.419 1.747 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.543 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 5.3 t-80 -111.74 154.93 24.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.638 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.89 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -133.24 141.37 48.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.89 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -121.31 141.56 50.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.555 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.864 HD12 ' OH ' ' A' ' 18' ' ' TYR . 10.7 mt -142.21 136.77 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.63 109.98 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.502 ' N ' HD22 ' A' ' 61' ' ' LEU . 4.3 mt -115.7 150.62 17.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.215 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.55 ' HG2' ' CD1' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.67 117.19 14.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -90.97 156.18 18.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.94 74.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.75 157.45 19.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -58.93 114.24 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.577 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.6 t80 -92.34 141.21 28.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.512 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.3 t-20 -101.89 107.9 19.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.1 t -104.98 70.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.365 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.409 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.3 t -93.9 30.38 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.422 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -164.29 118.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.893 ' HG2' HD12 ' A' ' 91' ' ' ILE . 27.1 mt-30 -84.58 46.28 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 34.7 mtt180 -117.67 -20.35 8.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.634 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.1 t80 -76.71 -39.61 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.94 12.84 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.423 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.9 m-20 -66.68 110.9 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.532 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -110.92 137.16 48.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.545 HG12 ' CG ' ' A' ' 86' ' ' HIS . 5.2 m -126.36 163.88 27.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 7.2 t -85.72 118.74 71.16 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.55 12.69 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.4 p -113.56 -20.73 11.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.472 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 85' ' ' ALA . 1.6 ttp85 -133.65 144.24 49.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.09 55.1 1.11 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 83' ' ' ARG . . . -128.77 130.66 47.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.545 ' CG ' HG12 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -100.71 146.28 27.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.556 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 15.7 m-85 -126.23 131.26 51.99 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.4 100.55 50.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.626 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -74.96 162.86 36.52 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -87.94 124.43 33.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.893 HD12 ' HG2' ' A' ' 73' ' ' GLN . 9.2 mt -91.35 130.85 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -135.29 133.3 38.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.229 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.8 114.24 4.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.905 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.31 113.56 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -67.46 -125.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 97' ' ' SER . 7.1 t -102.4 142.84 32.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.972 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.5 OUTLIER 156.07 132.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 101' ' ' LYS . 3.1 m -78.82 -6.91 57.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.6 -26.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.48 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.5 m -67.69 -43.96 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -61.16 -41.8 97.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -54.22 49.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -62.44 -33.68 75.3 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 101' ' ' LYS . 32.6 mt -60.83 -49.44 84.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -25.84 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.223 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.475 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -75.08 67.8 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -82.84 173.63 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 151.81 89.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 1.2 m-20 62.67 34.32 14.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 0.812 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.402 HG21 ' HE2' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -117.84 157.31 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.889 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.6 tt -105.12 138.9 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.889 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.2 pm0 -134.84 141.23 46.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.68 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 13.5 t90 -134.2 154.12 51.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.68 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.18 -177.02 21.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.473 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -123.93 127.18 47.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 110.358 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.55 ' CD1' ' HG2' ' A' ' 63' ' ' GLN . 19.0 t80 -79.74 148.19 31.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.5 OUTLIER -149.82 136.47 19.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.231 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.7 mp -96.06 139.03 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -77.2 -55.96 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -66.03 -122.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.292 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.6 162.24 13.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.25 148.61 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.346 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 9.3 t80 -74.47 101.56 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.9 t -133.56 119.22 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 7' ' ' PHE . 38.2 mt -109.39 133.76 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -134.24 110.32 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.51 27.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -83.42 -34.07 25.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.894 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.2 m-80 -115.14 145.52 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 8.5 m-85 -133.29 142.29 48.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.57 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 19.0 m-85 -118.97 123.08 43.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.741 HD23 HG22 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -106.13 136.0 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.185 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 m -123.9 123.32 40.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.757 ' CE1' HD12 ' A' ' 60' ' ' ILE . 9.2 m-85 -111.63 102.04 52.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.5 Cg_endo -75.03 134.94 18.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.2 ttmm 39.77 56.33 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.5 t -114.65 125.05 53.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 108.303 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -86.6 13.52 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.98 133.89 46.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.497 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.9 p -87.1 164.19 16.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HB2' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.18 -29.65 66.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.59 -45.27 79.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.497 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.1 m120 -69.69 -42.93 73.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -69.13 -35.86 76.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.606 ' HG ' HD22 ' A' ' 111' ' ' LEU . 1.2 tm? -68.65 -47.12 67.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 m -67.0 -45.36 77.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.4 ' CB ' HD23 ' A' ' 78' ' ' LEU . 59.4 mt-30 -64.04 -35.94 82.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.8 mm -65.99 -34.42 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.547 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.5 -40.31 92.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -73.52 -13.41 61.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -73.43 112.37 9.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.624 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 5.4 pt20 -83.64 162.16 20.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.571 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.42 156.33 45.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.366 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.88 -3.17 13.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.047 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.607 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -115.86 -107.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.607 ' N ' ' OG1' ' A' ' 39' ' ' THR . 11.9 t-20 -168.52 142.6 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -90.57 125.43 35.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.519 HD23 ' CG ' ' A' ' 117' ' ' GLN . 1.4 tp -103.4 -83.93 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -103.51 153.0 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -137.23 118.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' CE ' HG21 ' A' ' 110' ' ' VAL . 8.3 tptt -118.38 119.5 34.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.643 1.215 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.51 HG22 ' HB2' ' A' ' 25' ' ' LYS . 47.3 mt -127.5 115.12 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.392 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -127.9 138.56 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.47 ' HA ' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -97.04 142.65 28.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.177 . . . . 0.0 110.327 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.532 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 9.0 tp10 -142.47 134.39 27.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.811 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.8 mm? -98.29 135.04 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 38.2 m170 -82.44 154.33 25.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.96 -6.87 49.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -85.84 -0.69 56.02 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.372 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.22 4.4 83.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.046 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 12.9 pt-20 -96.55 131.41 28.33 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.811 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.95 124.17 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.594 1.839 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.532 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 3.7 t-80 -114.51 155.2 26.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.554 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.84 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -132.01 139.8 48.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.84 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -118.3 142.57 47.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.757 HD12 ' CE1' ' A' ' 18' ' ' TYR . 73.0 mt -142.46 137.19 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.57 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.61 110.66 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.562 HD12 HD21 ' A' ' 16' ' ' LEU . 2.7 mt -117.25 147.66 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.243 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' OE1' ' HA ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.35 118.23 15.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 35.2 m-85 -91.41 157.55 17.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -33.61 73.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.24 159.93 19.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -58.87 118.15 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.242 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.548 ' HB2' HG21 ' A' ' 39' ' ' THR . 4.0 t80 -96.77 141.56 29.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.432 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 4.1 t-20 -100.34 107.0 18.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.4 t -103.86 69.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 108.245 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.4 t -95.04 30.84 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -162.05 122.8 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 12.8 mt-30 -87.54 41.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -116.27 -18.99 10.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.624 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.3 t80 -77.05 -39.41 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.507 ' CD2' HG12 ' A' ' 91' ' ' ILE . 21.2 m-85 -87.99 12.82 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.1 m-20 -66.9 108.21 2.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.516 ' CD1' ' OH ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -109.02 137.14 47.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 m -121.76 163.83 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.0 t -85.78 119.26 71.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.057 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -6.09 17.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.782 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.97 -20.28 12.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.7 OUTLIER -132.91 142.35 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.9 t -76.15 56.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.25 144.58 51.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.34 146.92 32.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.585 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 12.6 m-85 -126.36 131.47 51.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.72 100.34 42.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 158.88 41.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.613 1.849 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -87.3 115.63 24.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.551 HG21 ' SG ' ' A' ' 70' ' ' CYS . 10.0 mt -85.34 130.33 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.5 133.09 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.3 113.89 3.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.28 113.04 21.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.754 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -68.76 -145.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.419 1.075 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.554 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.1 OUTLIER -89.03 142.28 27.77 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.8 t 155.3 140.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 110.009 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.0 p -80.23 -5.61 56.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.945 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -44.96 -26.34 0.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.515 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.0 m -68.75 -42.6 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.377 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -62.94 -40.21 96.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -47.14 82.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.455 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 16.4 t80 -68.24 -41.3 81.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.03 -26.19 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -81.65 -39.04 24.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.733 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -73.28 63.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.95 -166.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.55 100.69 0.83 Allowed Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.59 31.62 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 0.702 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.452 HG21 ' CE ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -116.09 166.03 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.18 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.726 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.6 tt -104.64 135.43 46.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.726 ' N ' HD23 ' A' ' 111' ' ' LEU . 3.2 tt0 -123.44 132.21 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.654 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 9.6 t90 -141.34 149.28 40.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 108.01 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.654 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.85 178.74 10.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -123.67 129.5 51.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 0.807 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.515 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 14.6 t80 -79.75 151.11 30.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.519 ' CG ' HD23 ' A' ' 42' ' ' LEU . 18.3 mm-40 -106.34 90.51 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.0 mp -85.68 118.67 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -81.16 163.98 22.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.98 167.42 35.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.557 0.798 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.26 138.5 5.48 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.428 1.08 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 8' ' ' SER . 1.3 tmm_? -129.91 151.42 50.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 11.0 t80 -76.71 102.78 6.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' NH1' ' A' ' 6' ' ' ARG . 0.8 OUTLIER -132.6 113.96 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.941 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 7' ' ' PHE . 18.2 mt -106.55 134.28 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -134.51 111.24 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.22 163.63 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -33.67 24.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.958 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.3 m-80 -114.67 146.74 40.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.423 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 13.1 m-85 -133.52 142.34 48.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 61' ' ' LEU . 19.0 m-85 -120.25 119.88 34.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' N ' HD22 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -104.41 130.66 52.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -118.15 134.25 55.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.473 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.711 ' OH ' HD12 ' A' ' 60' ' ' ILE . 1.1 m-85 -126.48 102.15 26.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.98 140.57 25.67 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.788 . . . . 0.0 111.064 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 18.4 ptmt 39.25 36.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.519 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.6 t -92.4 121.24 33.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 108.253 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.64 12.71 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 23' ' ' LEU . 17.0 tp -71.16 134.28 46.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.41 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.1 p -86.53 160.82 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -67.75 -28.75 67.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.48 -48.66 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.41 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 10.0 m120 -65.23 -44.27 88.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.37 -32.43 71.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.228 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.647 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -69.38 -44.3 71.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.432 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -69.49 -43.93 72.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.432 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 32.3 mt-30 -65.89 -48.24 72.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 9.9 mm -65.48 -45.35 93.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 42.9 m -62.69 -38.34 90.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.25 -10.26 59.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.592 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.53 118.43 17.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 16.2 mt-30 -81.43 162.54 23.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.497 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.11 158.81 44.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.493 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -74.96 -6.74 18.46 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.6 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.45 -105.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.6 ' H ' HG23 ' A' ' 39' ' ' THR . 6.9 t-20 -172.43 141.07 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HZ3' ' CG2' ' A' ' 62' ' ' ILE . 4.8 mtpm? -89.7 116.72 28.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.592 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -84.11 -64.55 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.228 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.666 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 21.5 t80 -137.29 164.38 28.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.666 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 5.4 mt -135.91 124.62 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' CE ' HG21 ' A' ' 110' ' ' VAL . 2.5 tptt -116.37 108.17 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 29' ' ' LEU . 79.9 mt -115.64 115.54 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -128.78 139.88 51.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.466 ' HA ' HD22 ' A' ' 58' ' ' LEU . 4.2 ttp85 -96.57 142.83 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 110.361 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 7.3 tt0 -143.96 134.45 24.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.3 mm? -98.02 135.1 40.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.49 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 40.7 m170 -85.51 154.63 21.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.11 -6.64 50.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -82.74 2.18 35.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.79 -1.21 89.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 16.2 pt-20 -96.75 138.8 21.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 110.256 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.649 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.01 131.59 14.45 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.49 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 4.7 t-80 -117.54 154.99 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.656 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.878 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -133.17 140.64 47.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.878 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -118.97 143.93 46.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.645 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.711 HD12 ' OH ' ' A' ' 18' ' ' TYR . 5.2 mt -142.53 134.89 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 1.2 tm? -138.41 110.19 7.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.385 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.49 HG12 HG23 ' A' ' 44' ' ' ILE . 2.1 mt -114.86 150.19 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.263 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 1.2 pp0? -136.26 116.72 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -91.52 156.19 17.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.592 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -62.29 -33.6 74.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.61 159.59 20.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -58.92 120.17 8.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.228 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.477 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 4.5 t80 -100.94 142.37 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.416 HD22 ' N ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -100.78 117.47 34.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.448 ' HG ' ' HE2' ' A' ' 76' ' ' PHE . 6.2 t -114.76 70.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 71' ' ' THR . 1.1 t -93.09 29.48 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -161.04 119.73 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.887 ' HG2' HD12 ' A' ' 91' ' ' ILE . 32.2 mt-30 -86.59 42.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 43.7 mtt85 -117.48 -18.95 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 13.9 t80 -76.85 -39.52 50.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.448 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 22.7 m-85 -87.85 12.4 13.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.6 m-20 -67.71 110.46 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -105.66 136.23 45.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.1 m -124.64 163.44 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 7.7 t -86.39 118.29 70.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -2.28 12.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.0 p -113.59 -20.61 11.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 110.388 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' SER . 17.9 ttt180 -133.62 144.04 48.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.01 56.93 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.7 131.4 44.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -102.25 146.13 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.531 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.5 m-85 -126.52 132.12 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.66 101.45 43.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.94 159.91 41.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -87.52 121.49 30.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.887 HD12 ' HG2' ' A' ' 73' ' ' GLN . 12.4 mt -87.79 130.43 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.27 132.97 38.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.5 114.18 4.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.958 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.31 113.49 22.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -150.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 97' ' ' SER . 7.0 t -89.6 142.87 27.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.6 OUTLIER 155.12 139.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.1 m -80.38 -6.81 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -44.73 -26.07 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.53 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.1 m -67.67 -43.38 86.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 98' ' ' SER . 10.8 tptt -62.42 -42.2 99.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.1 t -57.68 -45.82 85.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.908 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -69.08 -35.69 76.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.533 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 56.2 mt -65.77 -38.2 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 109.382 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -30.47 70.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -75.02 73.66 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -82.77 167.3 18.27 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 151.52 94.15 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 7.1 m-20 64.6 32.7 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -121.96 162.18 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 112' ' ' GLU . 8.0 tt -105.05 145.57 30.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.175 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.768 ' N ' HD23 ' A' ' 111' ' ' LEU . 42.9 mt-10 -130.78 125.5 33.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.654 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.3 t90 -130.21 151.32 50.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 108.068 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.654 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.51 -177.76 16.28 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.575 1.172 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -123.41 117.42 25.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 5.1 t80 -79.66 147.72 31.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.163 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -145.98 125.21 12.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.1 mp -80.38 136.93 22.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -156.84 129.32 7.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.23 129.55 1.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.14 66.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.588 1.18 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.04 157.86 26.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 16.3 t80 -74.1 103.1 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.402 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 4.2 p -132.27 119.09 20.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 51.1 mt -110.62 135.49 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.53 110.7 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 164.05 27.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.39 -24.27 24.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.187 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.817 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.7 m-80 -113.84 136.08 53.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.606 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.4 m-85 -133.48 133.26 42.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.574 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 40.0 m-85 -120.88 125.18 46.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.4 mm? -104.13 133.56 48.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -119.55 125.94 50.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.956 ' OH ' HD12 ' A' ' 60' ' ' ILE . 6.6 m-85 -115.42 102.16 54.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 137.68 21.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 pttt 40.1 46.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.6 t -108.13 120.59 42.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.22 15.11 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.414 HD21 HD22 ' A' ' 78' ' ' LEU . 19.4 tp -70.18 135.67 49.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.448 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.0 p -86.76 165.66 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.49 -28.9 64.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -66.13 -48.55 70.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.448 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 10.5 m120 -65.52 -44.39 87.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.546 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.66 -34.08 75.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.605 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.4 tm? -69.09 -40.92 78.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.9 m -68.17 -44.78 75.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' HD13 ' A' ' 35' ' ' LEU . 35.4 mt-30 -68.13 -48.29 65.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' O ' ' HE2' ' A' ' 41' ' ' LYS . 20.8 mm -62.44 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.267 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.605 ' HG1' HD22 ' A' ' 29' ' ' LEU . 54.5 m -63.13 -32.95 74.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -84.16 -11.21 56.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.32 117.76 16.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.571 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -79.48 163.16 24.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.542 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 1.2 t -146.32 153.72 48.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.542 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.04 -15.84 20.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.57 1.826 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.76 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -101.59 -93.46 0.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.76 ' H ' HG23 ' A' ' 39' ' ' THR . 6.4 t-20 178.1 140.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' HE2' ' O ' ' A' ' 32' ' ' ILE . 7.8 mtpp -88.66 123.35 33.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.525 HD23 ' HG2' ' A' ' 117' ' ' GLN . 1.1 mp -96.15 -86.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 50.9 t80 -103.61 154.24 19.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.055 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.713 HG12 HG23 ' A' ' 62' ' ' ILE . 65.5 mt -145.16 115.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.655 ' HE2' HG21 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -136.11 128.69 30.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.53 ' CG2' HD11 ' A' ' 58' ' ' LEU . 3.3 mt -118.97 115.13 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.51 ' HA ' HG12 ' A' ' 110' ' ' VAL . 10.6 t -110.72 138.63 46.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 108.293 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -96.97 144.13 27.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.24 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 57' ' ' HIS . 28.0 tt0 -145.57 135.52 23.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.835 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.1 mm? -98.09 134.85 40.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.45 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 34.1 m170 -84.15 154.49 23.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.666 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.64 -6.94 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -83.21 1.16 42.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.78 0.69 89.15 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.44 136.92 21.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.835 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 123.53 7.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 5.1 t-80 -108.62 154.89 21.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -130.34 138.08 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.83 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -118.39 144.34 45.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 109.675 179.889 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.956 HD12 ' OH ' ' A' ' 18' ' ' TYR . 9.5 mt -139.24 139.84 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -138.61 110.62 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.934 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.713 HG23 HG12 ' A' ' 44' ' ' ILE . 5.7 mt -119.07 151.97 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.556 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 25.3 tt0 -128.93 143.23 50.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.437 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 92.1 m-85 -119.2 147.72 43.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.508 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -62.93 -33.6 75.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.43 164.15 20.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -59.61 109.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.633 ' HB2' HG21 ' A' ' 39' ' ' THR . 1.4 t80 -90.99 135.28 33.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.449 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.42 110.26 22.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.5 t -105.68 71.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 108.373 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.3 t -95.93 31.67 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.351 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -153.91 122.85 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.703 ' HA ' HD11 ' A' ' 91' ' ' ILE . 2.2 pt20 -86.8 26.21 1.16 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.464 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.6 mtp180 -115.57 -11.49 11.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.403 1.064 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.571 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.7 t80 -77.81 -21.48 51.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.419 ' O ' HD12 ' A' ' 78' ' ' LEU . 19.4 m-85 -112.91 13.31 19.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.464 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.3 m-20 -66.63 106.14 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -104.19 136.03 44.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 m -122.69 163.62 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 83' ' ' ARG . 11.8 t -86.31 118.35 70.2 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.65 12.82 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.0 p -113.44 -20.66 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 12.2 ttm180 -133.6 144.33 49.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.68 56.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.67 134.09 47.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -104.88 146.36 29.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.632 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 15.9 m-85 -126.59 132.69 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -111.75 100.8 49.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.632 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.515 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.01 159.29 41.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -87.2 131.71 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' A' ' 73' ' ' GLN . 7.6 mt -97.29 119.61 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.466 ' CG ' ' HB2' ' A' ' 15' ' ' PHE . 12.5 pt20 -135.96 132.79 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.61 130.05 10.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.594 1.184 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.817 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -76.93 113.28 14.45 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.52 0.776 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -5.49 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' CB ' ' A' ' 99' ' ' ASP . 2.9 m -101.58 174.3 6.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.61 ' O ' HG22 ' A' ' 100' ' ' VAL . 77.2 p -118.73 -56.8 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.077 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.1 m -80.12 -24.95 40.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.441 ' CB ' ' CB ' ' A' ' 96' ' ' SER . 26.4 t70 -45.59 -24.8 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.371 1.044 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.707 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 18.3 m -67.55 -45.06 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -57.38 -38.94 75.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 t -58.13 -46.46 85.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 2.4 t80 -71.16 -34.29 70.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 67.0 mt -63.75 -32.87 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.64 -24.77 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -74.86 68.48 1.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -83.07 -178.26 7.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.224 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.0 77.52 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.57 70.76 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.655 HG21 ' HE2' ' A' ' 45' ' ' LYS . 6.2 m -140.94 166.0 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.911 HD23 ' N ' ' A' ' 112' ' ' GLU . 6.1 tt -104.95 143.16 33.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.608 1.193 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.911 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -120.45 128.37 53.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.644 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.9 t90 -141.8 153.92 44.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.644 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 59.7 174.63 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.11 122.32 37.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.707 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.9 t80 -80.07 151.34 29.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.525 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -144.52 107.1 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.7 mt -79.98 147.93 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -73.27 -51.88 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.228 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 165.42 153.65 7.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 110.311 179.994 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.35 74.78 0.69 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -131.29 124.08 29.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.3 t80 -76.97 102.5 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.415 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.63 113.02 12.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD11 ' CE1' ' A' ' 7' ' ' PHE . 71.7 mt -106.31 133.41 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.485 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 1.4 mtmt -134.73 110.44 9.24 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.37 163.47 27.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -86.5 -26.34 24.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.633 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 6.3 m-80 -117.22 135.24 53.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.4 m-85 -127.44 142.35 51.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 12.8 m-85 -119.72 122.05 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.566 ' N ' HD22 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -104.76 129.4 53.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.507 HG23 ' NE2' ' A' ' 57' ' ' HIS . 16.1 m -121.04 118.28 29.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.526 ' OH ' ' CD1' ' A' ' 78' ' ' LEU . 17.4 m-85 -107.51 101.78 41.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.04 138.8 23.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 7.1 mttt 39.89 46.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.493 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.8 t -105.98 120.97 43.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 108.346 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.04 14.55 7.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.63 135.17 49.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.647 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.2 p -85.08 162.2 19.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.9 -29.6 66.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -48.17 74.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.647 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.1 m120 -66.52 -44.09 83.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.489 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.65 -33.08 74.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.15 -44.81 71.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.459 ' N ' HD13 ' A' ' 29' ' ' LEU . 66.0 m -67.83 -44.69 76.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.542 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 10.8 mt-30 -65.9 -47.75 73.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' A' ' 28' ' ' ALA . 18.7 mm -64.44 -45.47 95.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.545 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.4 m -62.48 -38.44 89.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.449 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 30' ' ' SER . 28.0 m120 -81.6 -7.72 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -74.92 119.09 18.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.623 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 35.2 mt-30 -81.14 163.34 23.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.596 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -146.32 160.79 41.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 -22.74 14.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.781 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.608 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -100.37 -99.15 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.608 ' H ' HG23 ' A' ' 39' ' ' THR . 7.7 t-20 -175.2 144.64 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.713 ' HZ2' HG21 ' A' ' 62' ' ' ILE . 7.2 mtpp -90.46 118.71 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.453 HD23 ' CG ' ' A' ' 117' ' ' GLN . 1.7 tp -89.98 -59.89 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 116' ' ' PHE . 37.4 t80 -137.28 157.36 46.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.585 HG23 HG12 ' A' ' 62' ' ' ILE . 27.8 mt -138.41 116.8 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.521 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 8.4 tptt -116.74 117.29 29.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.228 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.434 ' O ' ' HB ' ' A' ' 110' ' ' VAL . 22.0 mt -118.75 114.98 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.5 t -124.86 136.55 53.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 108.296 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 28.8 ttt180 -103.36 142.38 34.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 49' ' ' GLU . 7.2 tp10 -141.85 132.66 25.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.801 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.2 mm? -99.12 135.29 40.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.449 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 29.1 m170 -83.03 153.74 24.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.562 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.77 -6.57 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -86.38 -2.64 58.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.65 5.92 77.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 15.5 pt-20 -96.66 127.01 41.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.801 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.98 134.81 18.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.436 1.756 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.507 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.8 t-80 -127.12 152.04 47.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 109.542 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -128.54 139.87 52.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.618 1.199 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.869 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -122.66 141.37 51.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.567 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.489 HD11 ' HB1' ' A' ' 28' ' ' ALA . 9.5 mt -142.85 139.46 27.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 tm? -138.41 109.47 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.713 HG21 ' HZ2' ' A' ' 41' ' ' LYS . 5.8 mt -116.95 147.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.02 115.94 13.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 36.8 m-85 -90.26 157.19 17.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -60.56 -33.74 73.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.86 156.62 18.91 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.504 1.127 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -59.03 111.22 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 0.807 . . . . 0.0 109.366 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.471 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.5 t80 -87.88 137.79 32.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.485 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.4 t-20 -96.76 107.47 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 10.4 t -106.17 69.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.415 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.5 t -94.03 30.65 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -163.91 115.8 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -80.94 48.76 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -118.2 -22.57 7.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.623 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.5 t80 -76.44 -38.71 55.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.947 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 91' ' ' ILE . 24.7 m-85 -87.77 12.21 13.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 69.0 m-20 -69.77 106.65 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.542 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -106.4 136.85 45.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 m -123.59 165.18 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 83' ' ' ARG . 31.3 t -84.75 119.54 72.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -6.24 17.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 p -111.45 -20.98 12.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.458 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.3 ttm-85 -133.99 145.36 49.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.38 54.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.47 132.92 52.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -102.15 147.15 26.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.612 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -126.16 133.29 51.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.24 101.38 45.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.51 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.06 159.51 41.05 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.25 119.68 27.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 73' ' ' GLN . 21.1 mt -88.37 125.08 41.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -135.25 132.4 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.18 113.73 4.79 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.31 113.21 22.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -59.78 -111.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 97' ' ' SER . 16.3 t -121.16 141.46 50.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.5 OUTLIER 158.4 142.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.021 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 p -80.5 -5.94 57.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.039 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.26 -26.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.574 1.172 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 98' ' ' SER . 19.9 m -68.2 -43.41 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -57.63 -47.35 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.6 m -57.61 -48.91 78.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -62.9 -35.56 80.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.613 HD12 ' CE2' ' A' ' 116' ' ' PHE . 27.1 mt -69.23 -32.36 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -26.87 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -73.48 67.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.03 169.4 15.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.01 93.11 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 61.33 34.3 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.259 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 2.1 m -111.79 163.48 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.846 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.1 tt -105.26 145.62 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.846 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.4 mp0 -129.96 130.74 45.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.221 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.569 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 5.9 t90 -137.46 142.98 41.57 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.569 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 74.81 -173.44 52.18 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.439 1.087 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -122.63 119.7 31.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.721 . . . . 0.0 110.362 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.613 ' CE2' HD12 ' A' ' 104' ' ' ILE . 21.0 t80 -79.67 151.07 30.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.453 ' CG ' HD23 ' A' ' 42' ' ' LEU . 34.2 mm-40 -98.37 103.54 15.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 0.0 110.386 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 101' ' ' LYS . 10.1 mm -79.35 114.18 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -160.25 169.53 23.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.66 -151.54 12.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.93 166.99 29.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.439 1.087 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -131.93 146.14 51.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 0.763 . . . . 0.0 110.277 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.64 ' CE1' HD11 ' A' ' 9' ' ' ILE . 10.4 t80 -78.25 101.56 7.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.457 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.5 OUTLIER -133.27 119.93 20.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.946 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.64 HD11 ' CE1' ' A' ' 7' ' ' PHE . 21.8 mt -113.92 134.88 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -134.9 111.38 9.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.32 163.55 27.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -33.7 32.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.534 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.2 m-80 -114.49 146.58 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.2 m-85 -133.56 144.19 49.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 61' ' ' LEU . 36.8 m-85 -120.14 124.59 46.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -104.22 128.81 51.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -119.49 119.37 33.66 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 6.3 m-85 -112.08 102.02 52.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.94 21.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 2.8 mtpp 39.24 45.32 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.6 t -100.64 121.5 41.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 108.244 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.81 14.21 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.453 HD21 HD22 ' A' ' 78' ' ' LEU . 15.7 tp -70.39 137.88 50.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.747 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -87.18 160.5 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.27 -30.04 68.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -47.89 72.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.747 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.1 m120 -65.48 -43.82 89.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.67 -34.58 75.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.592 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.1 tm? -69.25 -41.4 76.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -45.1 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.625 ' O ' HD13 ' A' ' 35' ' ' LEU . 36.9 mt-30 -67.81 -48.14 67.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.0 mm -62.47 -45.68 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.592 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.5 m -65.04 -37.54 87.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -82.21 -8.74 59.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.47 118.66 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.349 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.63 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -82.61 162.35 21.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.537 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.22 157.92 45.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.05 -5.35 16.66 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.603 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.95 -107.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.451 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 8.2 t-20 -170.85 142.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.247 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.651 ' HZ2' HG21 ' A' ' 62' ' ' ILE . 6.7 mttp -90.58 116.4 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -89.49 -59.1 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 59.6 t80 -137.16 155.07 50.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.413 HG23 HG12 ' A' ' 62' ' ' ILE . 45.0 mt -136.24 118.96 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -110.67 124.22 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.7 mt -128.19 116.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.2 t -126.2 138.86 53.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -96.84 142.43 28.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.741 ' C ' HD22 ' A' ' 50' ' ' LEU . 7.9 tp10 -140.37 136.77 33.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.9 mm? -127.06 135.58 50.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.433 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 25.7 m170 -91.66 154.59 18.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.14 -6.64 53.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -83.09 -3.1 56.94 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.01 3.82 72.81 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 19.1 pt-20 -96.39 118.86 65.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.404 0.708 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.899 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.04 150.38 37.9 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 8.7 t-80 -140.48 152.28 45.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.619 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.796 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -133.57 135.88 44.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.796 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -121.78 137.21 54.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.559 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.541 HD12 ' OH ' ' A' ' 18' ' ' TYR . 77.4 mt -142.39 139.06 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -138.39 110.73 7.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.651 HG21 ' HZ2' ' A' ' 41' ' ' LYS . 3.5 mt -115.12 149.64 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.517 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.41 116.61 14.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 43.6 m-85 -91.14 156.44 17.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.482 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.34 -33.63 73.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.28 156.83 17.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -58.76 112.38 1.61 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 0.792 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.48 ' HB2' HG21 ' A' ' 39' ' ' THR . 8.0 t80 -90.83 142.09 28.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.414 1.071 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.453 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.5 t-20 -101.91 115.1 29.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.868 ' SG ' HG21 ' A' ' 91' ' ' ILE . 7.2 t -111.3 70.49 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 108.326 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.457 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 5.6 t -100.54 33.98 2.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -168.95 109.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.456 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -76.12 55.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.228 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' HA ' ' OD2' ' A' ' 77' ' ' ASP . 3.4 mmt85 -121.96 -25.56 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.4 t80 -76.4 -39.26 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 27.0 m-85 -88.32 12.87 12.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 65.2 m-20 -69.86 106.72 3.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.537 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -103.89 136.02 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 m -124.39 164.34 22.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 83' ' ' ARG . 41.6 t -85.43 118.77 71.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -5.54 16.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.782 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.6 p -111.57 -20.94 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.6 1.187 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.87 144.58 49.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.52 58.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.064 . . . . 0.0 110.057 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.37 135.48 48.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.25 145.91 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -126.53 136.57 52.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.09 103.05 52.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.642 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.0 160.12 40.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -87.47 118.02 26.64 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.868 HG21 ' SG ' ' A' ' 70' ' ' CYS . 13.3 mt -88.41 125.6 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.3 tt0 -135.31 133.23 38.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.417 1.073 . . . . 0.0 110.23 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.16 114.18 4.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.534 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.33 114.59 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -61.49 -138.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.543 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.5 OUTLIER -91.49 142.98 27.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.6 p 156.66 136.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.1 p -80.32 -7.18 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.93 -26.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.499 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.1 m -68.14 -43.53 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.8 OUTLIER -63.76 -43.34 96.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.46 -53.03 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.957 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -62.82 -35.48 80.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.551 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 36.3 mt -62.46 -37.87 79.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -25.31 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -75.09 69.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.91 171.4 13.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 147.5 94.27 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 42.9 m-20 62.53 33.62 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.236 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.88 165.73 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.11 . . . . 0.0 109.235 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.2 tt -105.02 145.66 30.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.544 ' N ' HD23 ' A' ' 111' ' ' LEU . 24.3 mt-10 -132.81 123.6 26.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.663 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 7.2 t90 -130.72 148.43 52.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 108.007 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.663 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 69.29 -179.39 25.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.74 120.58 33.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 7.5 t80 -79.76 149.79 31.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -149.97 133.74 16.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.81 127.34 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -73.19 -55.22 6.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 170.62 124.22 0.74 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 110.296 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.66 151.35 22.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -126.26 119.95 28.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 110.369 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 13.7 t80 -76.91 103.35 6.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.405 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.0 OUTLIER -131.98 110.55 10.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.3 mt -107.26 133.92 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 1.2 mtpt -134.25 109.64 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.6 163.74 27.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 109.257 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -24.86 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.797 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.1 m-80 -114.16 133.42 55.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.0 m-85 -129.6 138.33 51.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 94' ' ' ALA . 38.2 m-85 -120.05 126.48 50.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.4 mm? -104.83 129.34 53.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.895 HG23 ' CE1' ' A' ' 57' ' ' HIS . 26.3 m -119.88 117.87 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.61 ' CD2' ' HB3' ' A' ' 89' ' ' PRO . 5.8 m-85 -111.38 102.68 53.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.06 142.02 27.17 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.602 1.843 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 7.5 pttt 37.84 37.28 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 11.7 t -93.13 118.84 31.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 108.243 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -86.46 11.97 11.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.619 HD21 HD22 ' A' ' 78' ' ' LEU . 22.0 tp -71.14 135.15 47.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.414 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.9 p -85.09 163.69 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -70.86 -28.16 64.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.23 -48.98 71.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.228 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.414 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 6.0 m120 -66.79 -43.81 82.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.14 -32.99 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.565 HD22 ' OG1' ' A' ' 33' ' ' THR . 0.7 OUTLIER -69.06 -44.63 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -68.4 -43.84 76.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.6 ' O ' HD13 ' A' ' 35' ' ' LEU . 27.0 mt-30 -65.99 -48.42 71.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' HA ' ' HB2' ' A' ' 35' ' ' LEU . 17.8 mm -64.82 -45.36 95.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.565 ' OG1' HD22 ' A' ' 29' ' ' LEU . 46.2 m -62.9 -35.07 78.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -85.26 -8.79 58.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.6 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.58 119.01 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.639 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 13.3 pt20 -82.45 162.62 22.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.573 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -146.86 159.15 44.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.377 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.508 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.04 -3.5 14.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.593 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -116.54 -107.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.593 ' H ' HG23 ' A' ' 39' ' ' THR . 9.1 t-20 -170.87 141.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -91.02 125.62 35.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.723 HD23 ' HG2' ' A' ' 117' ' ' GLN . 1.3 tp -100.43 -56.15 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.537 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 61.4 t80 -137.12 154.16 50.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.558 HG23 HG12 ' A' ' 62' ' ' ILE . 57.3 mt -138.27 118.09 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HE2' HG21 ' A' ' 110' ' ' VAL . 5.0 tptt -110.58 125.31 53.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.534 HG23 HD21 ' A' ' 58' ' ' LEU . 63.8 mt -128.76 115.62 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.3 m -129.85 139.42 51.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 108.261 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.9 147.27 24.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.756 ' O ' HD22 ' A' ' 50' ' ' LEU . 10.8 tp10 -140.33 157.23 45.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 49' ' ' GLU . 3.7 mm? -126.53 134.76 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -93.82 156.44 16.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -6.91 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -84.23 -1.1 54.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.88 2.93 88.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.42 124.11 52.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.281 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.554 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.02 129.97 12.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.895 ' CE1' HG23 ' A' ' 17' ' ' THR . 10.5 t60 -122.74 155.15 37.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.708 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.534 HD21 HG23 ' A' ' 46' ' ' ILE . 4.9 tt -132.65 141.83 48.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.488 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -117.53 142.18 47.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.586 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.456 ' CD1' HG12 ' A' ' 46' ' ' ILE . 5.8 mt -142.1 138.92 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -137.25 111.11 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.558 HG12 HG23 ' A' ' 44' ' ' ILE . 4.7 mt -114.7 149.31 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.545 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.76 116.75 14.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 179.919 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -91.12 156.85 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.486 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -60.62 -33.51 72.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.25 158.1 20.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -58.9 121.01 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.479 ' HB2' HG21 ' A' ' 39' ' ' THR . 7.0 t80 -100.27 142.72 31.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.51 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.2 t-20 -101.14 108.37 20.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.835 ' SG ' HD13 ' A' ' 91' ' ' ILE . 10.5 t -102.99 68.62 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.248 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.5 t -95.49 31.11 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -162.58 117.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.453 ' HG3' ' CE2' ' A' ' 7' ' ' PHE . 1.1 mt-30 -86.53 43.22 1.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -116.64 -20.74 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.639 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.8 -39.45 51.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 27.6 m-85 -87.88 12.55 12.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.4 m-20 -66.86 111.11 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.619 HD22 HD21 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -108.46 136.92 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.427 HG12 ' CG ' ' A' ' 86' ' ' HIS . 5.6 m -125.83 163.91 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.36 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.1 t -85.76 117.8 69.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -3.84 14.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.442 1.759 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.6 p -111.95 -21.09 11.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 1.7 ttt180 -133.79 144.01 48.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.06 58.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.75 134.42 46.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.427 ' CG ' HG12 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -104.6 147.59 27.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.593 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -126.2 134.23 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.02 102.25 45.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.662 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.61 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.92 159.43 41.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -98.64 120.5 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.835 HD13 ' SG ' ' A' ' 70' ' ' CYS . 7.1 mt -85.89 129.94 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.381 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -135.16 132.98 38.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.51 120.77 6.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.797 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -77.08 113.06 14.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 0.733 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -4.77 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 99' ' ' ASP . 3.0 p -91.48 176.34 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.797 ' O ' HG22 ' A' ' 100' ' ' VAL . 65.6 m -125.96 -65.5 0.99 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -80.21 -28.13 38.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 96' ' ' SER . 24.0 t70 -45.81 -24.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 97' ' ' SER . 26.7 m -67.5 -42.39 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.769 ' HG3' HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -60.39 -38.3 83.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 m -57.55 -46.81 83.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -71.4 -33.57 69.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 31.4 mt -63.63 -34.32 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.18 -23.91 63.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -74.12 67.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.1 -178.16 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.63 71.27 0.06 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.442 1.089 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.36 68.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 0.782 . . . . 0.0 109.272 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.443 HG21 ' HE2' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -140.85 166.61 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.3 tt -104.71 142.51 34.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.785 ' N ' HD23 ' A' ' 111' ' ' LEU . 5.6 tt0 -125.1 126.69 45.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.534 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 30.4 t90 -134.59 154.43 51.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.534 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.15 179.18 3.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.46 1.1 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.1 119.39 29.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.545 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 9.0 t80 -79.87 151.26 30.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.723 ' HG2' HD23 ' A' ' 42' ' ' LEU . 46.6 mm-40 -91.71 77.35 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.769 HD12 ' HG3' ' A' ' 101' ' ' LYS . 30.5 mm -79.43 123.42 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.073 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.73 139.96 49.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -171.88 -137.54 2.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.466 1.104 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.433 0.725 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.39 121.64 4.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -112.38 150.78 30.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.8 t80 -77.91 102.89 7.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.14 110.85 10.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.068 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.5 mt -103.22 135.05 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -135.23 109.67 8.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.55 163.95 27.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.211 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -22.98 23.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.0 m-80 -115.0 137.1 52.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.569 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.5 m-85 -133.91 137.0 44.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 58.0 m-85 -120.39 127.59 52.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.482 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.8 mm? -104.69 133.07 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.55 HG23 ' NE2' ' A' ' 57' ' ' HIS . 11.7 m -121.27 121.23 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.46 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 6.2 m-85 -115.4 104.14 53.61 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.02 140.86 25.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 5.2 pttt 37.72 41.44 0.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.491 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 9.1 t -98.59 120.72 39.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 108.28 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -87.01 14.75 6.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.408 HD21 HD22 ' A' ' 78' ' ' LEU . 20.1 tp -70.87 136.14 48.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.681 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.6 p -86.5 162.93 17.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.67 -29.05 65.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -66.12 -47.92 72.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.681 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.3 m120 -66.03 -44.22 85.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -69.29 -33.53 73.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.574 HD22 ' OG1' ' A' ' 33' ' ' THR . 0.8 OUTLIER -68.96 -42.7 76.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.6 m -69.53 -44.4 71.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.566 ' NE2' HD23 ' A' ' 78' ' ' LEU . 27.4 mt-30 -66.17 -47.59 73.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.0 mm -65.13 -45.71 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.574 ' OG1' HD22 ' A' ' 29' ' ' LEU . 51.2 m -63.4 -33.99 76.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -83.83 -10.24 58.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.33 117.44 16.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.496 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 1.2 mt-30 -79.51 161.51 25.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.717 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.5 OUTLIER -148.4 153.64 40.72 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.602 1.189 . . . . 0.0 110.382 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.514 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.0 Cg_endo -75.11 -0.49 10.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.717 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -113.67 -107.29 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.585 ' H ' HG23 ' A' ' 39' ' ' THR . 8.1 t-20 -171.94 134.8 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 7.1 mttp -90.86 127.21 36.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.896 HD11 ' N ' ' A' ' 65' ' ' GLU . 4.0 mp -103.41 -86.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.484 ' HB2' ' CA ' ' A' ' 116' ' ' PHE . 41.6 t80 -102.82 153.4 20.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.744 HG12 HG23 ' A' ' 62' ' ' ILE . 88.9 mt -141.58 115.92 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.592 ' NZ ' HG21 ' A' ' 110' ' ' VAL . 1.3 tmtp? -118.52 128.59 54.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.5 HG23 HG12 ' A' ' 60' ' ' ILE . 26.5 mt -125.4 117.58 50.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.2 t -122.91 138.13 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 108.316 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.431 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -99.58 144.0 29.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 110.277 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -142.07 134.71 28.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -98.22 134.82 40.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -85.97 150.03 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.61 -7.09 35.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.78 0.81 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 2.94 89.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 19.6 pt-20 -96.53 131.17 28.83 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.94 125.77 9.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.791 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.55 ' NE2' HG23 ' A' ' 17' ' ' THR . 4.8 t-80 -112.03 154.87 24.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.867 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -130.89 140.79 50.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.867 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.12 143.82 49.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 0.0 109.625 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.5 HG12 HG23 ' A' ' 46' ' ' ILE . 4.7 mt -141.89 140.65 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.38 111.51 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.744 HG23 HG12 ' A' ' 44' ' ' ILE . 2.8 mt -119.97 154.44 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.543 ' NE2' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -131.11 145.92 52.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.337 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 42' ' ' LEU . 89.5 m-85 -122.44 153.26 39.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.896 ' N ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -65.92 -33.27 75.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.08 158.24 18.6 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -59.46 110.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.569 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.9 t80 -88.67 134.1 34.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.424 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 5.4 t-20 -96.18 114.13 25.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.665 ' SG ' HD13 ' A' ' 91' ' ' ILE . 8.3 t -111.27 69.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 108.275 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.9 OUTLIER -92.56 29.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -158.99 125.55 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.652 ' HA ' HD11 ' A' ' 91' ' ' ILE . 28.3 mt-30 -88.57 35.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.455 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 6.5 mtm180 -117.01 -15.44 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.496 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.1 t80 -77.26 -25.85 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.482 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 29.8 m-85 -106.13 13.62 28.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.066 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.455 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 70.3 m-20 -65.91 107.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.566 HD23 ' NE2' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -105.72 136.77 44.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.436 HG12 ' CG ' ' A' ' 86' ' ' HIS . 3.7 m -121.53 164.75 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 25.2 t -85.26 118.43 70.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 p -112.33 -20.74 11.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' SER . 18.5 ttt-85 -133.51 144.23 49.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.235 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.21 56.84 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.59 141.71 50.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.436 ' CG ' HG12 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -108.7 147.84 31.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.602 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 19.2 m-85 -126.27 134.81 51.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.02 101.56 45.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.05 166.19 29.67 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.445 1.761 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.42 122.71 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.665 HD13 ' SG ' ' A' ' 70' ' ' CYS . 8.9 mt -86.83 129.14 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -135.32 132.71 38.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.67 123.96 8.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -79.46 113.35 17.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -67.91 -8.91 40.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -104.67 176.53 5.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.838 ' O ' HG22 ' A' ' 100' ' ' VAL . 30.4 p -128.33 -50.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -80.63 -30.5 36.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.026 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.424 ' OD1' HG13 ' A' ' 100' ' ' VAL . 3.8 p-10 -45.69 -24.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.838 HG22 ' O ' ' A' ' 97' ' ' SER . 22.0 m -67.61 -41.95 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -60.7 -39.47 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.1 t -57.59 -46.16 84.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.519 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 11.0 t80 -71.13 -33.82 70.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.35 -26.87 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -81.75 -37.64 26.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.678 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 4.2 pttt -75.6 35.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 105' ' ' ASP . 7.4 p30 -83.02 179.19 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 158.17 94.81 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 4.9 m-20 79.16 55.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.592 HG21 ' NZ ' ' A' ' 45' ' ' LYS . 1.1 m -137.09 166.71 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.745 HD23 ' C ' ' A' ' 111' ' ' LEU . 2.8 tt -104.63 129.14 52.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.726 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -109.99 143.28 40.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.731 ' CE3' HD12 ' A' ' 44' ' ' ILE . 22.2 t90 -141.3 154.53 45.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.469 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 56.26 179.86 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.08 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -125.55 126.7 45.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.614 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.3 t80 -79.84 150.68 30.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.461 ' NE2' HD23 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -141.56 125.77 17.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.6 128.65 47.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -75.1 120.3 20.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.222 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 113.9 -110.79 2.49 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.478 1.111 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 106.41 90.22 2.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.85 123.68 29.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 0.8 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.55 ' HE1' HD11 ' A' ' 9' ' ' ILE . 12.8 t80 -77.12 102.26 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.9 111.01 10.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.957 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.55 HD11 ' HE1' ' A' ' 7' ' ' PHE . 40.7 mt -104.51 136.77 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -134.84 111.35 9.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' HA ' ' CE ' ' A' ' 67' ' ' LYS . . . -162.3 163.43 28.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' CE ' ' OD1' ' A' ' 13' ' ' ASN . 8.5 ttpt -84.97 -32.55 22.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.1 m-80 -114.61 141.92 47.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -133.3 142.02 48.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 22.9 m-85 -119.45 123.06 43.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.604 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.1 mm? -104.47 132.67 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.409 HG23 ' NE2' ' A' ' 57' ' ' HIS . 3.1 m -120.69 118.02 29.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.842 ' OH ' HD12 ' A' ' 60' ' ' ILE . 10.1 m-85 -108.47 101.29 42.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.08 137.48 21.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER 39.38 46.33 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.6 t -103.09 120.48 40.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -86.84 14.49 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 15.5 tp -70.99 135.89 48.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.7 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.9 p -85.7 156.86 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HD3' HD12 ' A' ' 111' ' ' LEU . 2.1 pptp? -64.54 -29.07 70.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -66.25 -47.85 72.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.7 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -66.36 -43.5 85.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.91 -35.08 76.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.9 OUTLIER -69.22 -41.64 76.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.386 179.921 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 t -68.86 -45.19 71.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.93 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.608 ' O ' HD13 ' A' ' 35' ' ' LEU . 36.7 mt-30 -66.86 -47.38 72.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.4 mm -64.16 -45.39 96.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.591 ' HG1' HD22 ' A' ' 29' ' ' LEU . 45.1 m -64.03 -35.44 80.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -83.51 -9.97 58.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.48 118.67 17.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.612 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 16.8 mm-40 -80.32 164.38 23.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.602 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -145.34 161.89 39.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.939 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HD2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 -25.72 11.65 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.65 -93.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.692 ' H ' HG23 ' A' ' 39' ' ' THR . 6.5 t-20 178.26 146.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.602 ' HG3' HG21 ' A' ' 37' ' ' THR . 8.7 mttp -90.27 121.07 31.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.676 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.3 tp -91.85 -57.41 2.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 62' ' ' ILE . 56.2 t80 -137.84 157.93 45.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.437 HD12 ' CE3' ' A' ' 113' ' ' TRP . 53.4 mt -138.65 116.86 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -114.19 128.24 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 69.0 mt -128.81 115.74 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 30.8 t -128.06 139.41 52.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 108.251 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.493 ' HA ' HD22 ' A' ' 58' ' ' LEU . 10.2 ttt180 -97.02 144.28 27.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.577 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 25.7 tt0 -143.76 133.82 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.55 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.8 mm? -98.44 134.56 41.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.477 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 22.3 m170 -85.68 156.14 20.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -77.29 -6.54 53.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.03 -6.24 59.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.49 0.31 70.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.477 ' HG3' ' HB2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -96.37 135.32 22.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.344 179.906 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 123.66 8.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.577 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 4.1 t-80 -109.9 155.47 21.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -132.27 138.12 47.75 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.822 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.14 142.67 46.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.641 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.842 HD12 ' OH ' ' A' ' 18' ' ' TYR . 22.8 mt -142.27 136.38 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.613 1.196 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.4 tm? -138.15 110.09 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.545 HG23 ' O ' ' A' ' 43' ' ' PHE . 3.3 mt -117.45 150.9 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 1.2 pp0? -136.02 116.96 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 44.0 m-85 -90.87 157.42 17.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.676 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -60.21 -33.49 72.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 161.98 22.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 11' ' ' ALA . 22.5 mtpt -58.64 110.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 38' ' ' PRO . 2.9 t80 -87.4 139.19 30.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -96.89 119.19 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.773 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.2 t -115.26 67.37 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.33 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 7' ' ' PHE . 1.4 t -94.19 29.99 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -163.99 117.71 1.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 109.189 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.614 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -86.28 41.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -115.09 -19.03 11.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.612 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 13.0 t80 -76.59 -39.16 53.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.477 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 14.4 m-85 -88.31 12.12 14.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.938 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 71.0 m-20 -67.13 106.83 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.24 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.541 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -105.61 136.36 45.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.467 HG11 ' CE1' ' A' ' 86' ' ' HIS . 2.6 m -124.04 163.8 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.9 t -86.17 119.44 71.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -6.83 18.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.56 -19.66 13.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.7 OUTLIER -133.06 142.17 48.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -76.38 56.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.13 140.07 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.467 ' CE1' HG11 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -107.7 147.75 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.624 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 17.2 m-85 -126.43 131.59 51.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.75 103.56 47.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.642 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.92 158.04 42.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -87.53 121.34 29.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.773 HD13 ' SG ' ' A' ' 70' ' ' CYS . 76.3 mt -85.16 127.72 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.18 132.6 38.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.74 114.45 4.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.37 113.5 22.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -152.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.546 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.6 OUTLIER -88.5 143.0 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 110.016 179.928 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.4 p 155.13 139.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' LYS . 3.6 p -80.13 -6.98 58.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -44.98 -25.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.511 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.3 m -67.64 -44.47 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.575 ' HG3' HD11 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -58.93 -43.22 91.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.3 m -57.67 -46.9 83.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 25.9 t80 -68.06 -34.32 76.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.528 HD11 ' CE2' ' A' ' 116' ' ' PHE . 62.8 mt -65.21 -40.06 87.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.04 -25.82 65.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -75.02 69.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.9 168.6 16.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.238 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 146.91 97.17 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 17.3 m-20 62.66 33.91 15.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.414 HG21 ' CE ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -122.13 166.66 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.224 -179.919 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.0 tt -104.81 145.46 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.552 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.9 tm-20 -130.91 122.6 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.619 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 20.5 t90 -132.47 154.2 50.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.602 1.189 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.619 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 63.4 -178.51 6.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -123.18 120.46 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 0.808 . . . . 0.0 110.443 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 14.7 t80 -79.85 148.04 31.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.459 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 0.8 OUTLIER -146.55 126.76 13.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.575 HD11 ' HG3' ' A' ' 101' ' ' LYS . 3.7 mp -84.38 123.92 39.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.79 156.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.12 155.95 7.53 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.568 1.167 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.83 161.71 26.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.32 157.83 32.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 21.0 t80 -74.04 102.73 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.58 112.83 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.0 mt -108.05 134.35 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.239 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 109.68 8.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.46 163.89 27.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -87.53 -22.67 24.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.376 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.83 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.4 m120 -115.61 135.97 53.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.6 m-85 -133.55 134.77 43.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.542 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 46.8 m-85 -120.25 127.07 52.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.762 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.5 mm? -104.74 133.98 48.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.598 HG23 ' NE2' ' A' ' 57' ' ' HIS . 13.8 m -120.04 125.48 48.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.368 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.566 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 3.8 m-85 -117.8 101.56 51.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.0 139.77 24.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER 38.11 42.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.517 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 10.0 t -98.63 122.74 42.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -86.6 12.34 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 tp -71.11 134.71 47.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.717 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.6 p -86.72 162.09 18.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -69.74 -29.17 66.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -47.4 73.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.717 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.0 m120 -67.0 -43.78 82.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.66 -35.85 77.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.376 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.612 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.5 tm? -68.09 -42.27 80.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.0 m -71.18 -38.88 72.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 20.4 mt-30 -70.63 -36.28 73.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.663 HD13 ' CD2' ' A' ' 35' ' ' LEU . 5.6 mm -63.75 -36.16 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -41.68 93.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 110.455 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -73.69 -11.78 60.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.663 ' CD2' HD13 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -74.45 114.69 13.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.638 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 6.9 mt-30 -84.89 162.96 19.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.655 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -146.24 158.11 48.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -75.0 -26.1 11.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.778 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -93.09 -102.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.376 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.596 ' H ' HG23 ' A' ' 39' ' ' THR . 0.7 OUTLIER -173.38 138.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.666 ' O ' HD12 ' A' ' 42' ' ' LEU . 8.8 mtpp -83.96 152.77 24.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 41' ' ' LYS . 3.0 mp -132.11 -87.58 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 42.2 t80 -102.77 152.84 20.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.067 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.972 HD12 ' CE3' ' A' ' 113' ' ' TRP . 25.2 mt -138.0 115.59 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.4 OUTLIER -119.64 121.27 38.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.612 HD12 ' HB2' ' A' ' 29' ' ' LEU . 78.7 mt -117.41 114.17 44.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.4 t -113.83 138.76 49.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 108.336 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -98.14 142.71 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -147.95 133.27 18.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.916 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.5 mm? -98.66 134.94 40.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.567 ' CD2' ' CB ' ' A' ' 57' ' ' HIS . 34.8 m170 -80.86 148.99 29.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.44 -6.87 38.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -83.92 1.86 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.42 2.24 89.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 12.6 pt-20 -96.6 136.04 22.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.916 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.04 124.08 8.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.598 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.3 t-80 -112.27 154.59 25.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.655 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.883 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -131.38 141.2 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.883 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -120.11 144.45 47.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.64 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.547 HD11 ' HB1' ' A' ' 28' ' ' ALA . 13.4 mt -140.85 138.16 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -138.46 111.6 7.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.593 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 3.3 mt -122.36 151.72 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.538 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -132.26 145.56 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 59.0 m-85 -119.86 156.62 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -33.69 73.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.73 160.33 21.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -59.08 118.08 5.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.282 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.557 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 3.8 t80 -93.88 140.8 29.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.434 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 4.7 t-20 -101.33 111.7 24.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.741 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.1 t -107.28 69.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.4 t -94.88 31.1 1.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -164.5 116.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.553 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -82.21 46.14 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.2 mmp_? -119.15 -18.78 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.638 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.7 t80 -77.06 -37.47 54.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.762 ' CE1' HD21 ' A' ' 16' ' ' LEU . 26.2 m-85 -90.66 12.66 18.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 67.0 m-20 -67.08 106.51 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -108.94 136.69 48.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.1 m -121.58 164.13 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 6.6 t -85.82 118.41 70.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.82 13.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 111.046 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.2 p -112.81 -20.66 11.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 17.6 ttt85 -133.71 143.64 48.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.242 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 56.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.63 138.02 49.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -102.67 147.82 26.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.9 m-85 -126.32 128.35 46.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.97 101.41 44.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.618 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.566 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.6 Cg_endo -74.95 164.79 32.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -96.4 125.09 40.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.741 HD13 ' SG ' ' A' ' 70' ' ' CYS . 13.1 mt -85.39 129.2 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.11 133.03 38.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.53 125.01 8.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.83 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -76.99 114.38 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -12.42 28.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.7 161.37 21.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.946 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.839 ' O ' HG22 ' A' ' 100' ' ' VAL . 90.2 p -103.77 -30.13 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.954 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.9 m -80.72 -29.49 36.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.584 ' OD2' ' HB1' ' A' ' 94' ' ' ALA . 3.6 p30 -45.99 -24.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 97' ' ' SER . 23.0 m -67.95 -41.58 84.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -60.02 -40.48 89.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.82 -47.15 83.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.585 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 19.7 t80 -71.61 -33.83 69.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.13 -34.79 61.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -25.04 65.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 69.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.22 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.07 -175.05 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 110' ' ' VAL . . . 120.31 96.3 1.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 51.71 67.72 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 108' ' ' GLY . 14.4 m -141.07 164.41 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.72 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.5 tt -105.36 147.23 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.72 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.4 mp0 -133.07 123.35 25.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.972 ' CE3' HD12 ' A' ' 44' ' ' ILE . 9.5 t90 -135.29 154.74 51.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 107.997 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.598 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.06 173.83 5.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 111.084 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.469 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -124.16 121.49 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 0.731 . . . . 0.0 110.391 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.69 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 4.4 t80 -79.95 148.65 31.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.0 OUTLIER -142.08 103.98 4.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.958 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.403 HG13 ' CE1' ' A' ' 116' ' ' PHE . 19.2 mt -81.35 146.28 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -82.19 128.87 34.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 157.65 150.33 5.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.317 179.988 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.73 -173.21 24.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.429 1.081 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -131.62 145.8 51.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 0.724 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 17.0 t80 -78.19 101.74 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.428 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.1 OUTLIER -133.56 118.32 18.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.995 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 mt -110.93 135.09 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.61 111.16 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.2 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.38 163.32 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -87.5 -25.67 23.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.84 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 8.4 m-80 -118.71 138.55 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 10.0 m-85 -132.81 141.86 48.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.673 ' CE1' HD23 ' A' ' 61' ' ' LEU . 25.7 m-85 -120.4 123.57 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.64 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.6 mm? -106.0 132.19 52.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -120.64 121.49 38.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.646 ' OH ' HD12 ' A' ' 60' ' ' ILE . 9.5 m-85 -109.01 101.75 45.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.06 135.59 19.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.4 tttt 39.47 53.61 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.7 t -112.45 123.38 50.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 108.317 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.62 13.38 8.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.21 134.91 47.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.422 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -86.56 162.51 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -69.81 -28.19 65.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.357 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -47.64 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.422 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.3 m120 -67.57 -43.83 79.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.75 -35.87 79.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.659 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.3 tm? -69.34 -41.5 76.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -44.67 75.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 32.2 mt-30 -68.47 -48.12 65.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.482 HG21 HD11 ' A' ' 62' ' ' ILE . 3.4 mm -62.69 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.659 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.2 m -62.88 -38.77 92.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -81.87 -7.06 59.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -74.61 118.28 17.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.923 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.58 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.76 161.88 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.571 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.9 OUTLIER -148.16 153.59 41.51 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.534 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 -2.85 13.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.527 1.804 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.63 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -115.26 -105.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.467 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.63 ' H ' HG23 ' A' ' 39' ' ' THR . 6.5 t-20 -170.6 136.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 5.9 mtpp -90.39 119.23 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.381 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.685 HD23 ' HG2' ' A' ' 117' ' ' GLN . 1.8 tp -96.61 -82.92 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 53.7 t80 -103.02 153.11 20.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.649 HG12 HG23 ' A' ' 62' ' ' ILE . 88.7 mt -143.61 116.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HE2' ' CG2' ' A' ' 110' ' ' VAL . 0.0 OUTLIER -119.18 126.21 51.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.448 HG22 ' HB3' ' A' ' 25' ' ' LYS . 34.1 mt -128.81 114.47 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.417 ' SG ' HG11 ' A' ' 110' ' ' VAL . 40.1 t -125.77 138.45 53.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 108.345 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.443 ' HG3' HD22 ' A' ' 58' ' ' LEU . 3.9 ttp-105 -103.19 141.63 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -149.06 133.71 17.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 7.9 mp -98.65 135.18 40.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -81.6 157.72 24.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.544 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.41 -5.45 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -81.16 -1.32 44.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.371 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.42 90.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.03 133.67 24.9 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.531 0.783 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.441 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.99 123.27 7.76 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 4.2 t-80 -115.85 155.3 28.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.787 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -132.36 135.34 46.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.787 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -113.32 143.06 45.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.58 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.646 HD12 ' OH ' ' A' ' 18' ' ' TYR . 34.4 mt -142.49 137.07 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.673 HD23 ' CE1' ' A' ' 15' ' ' PHE . 1.8 tm? -138.68 109.78 6.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.649 HG23 HG12 ' A' ' 44' ' ' ILE . 5.2 mt -120.05 148.46 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.461 ' CG ' ' HB3' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -137.21 116.82 12.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -90.4 155.96 18.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -33.4 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.42 158.07 16.21 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -59.34 112.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.416 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 3.7 t80 -88.3 139.26 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -100.47 109.58 21.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.618 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.2 t -106.75 69.86 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.353 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.428 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.8 t -96.26 31.57 2.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -162.55 126.96 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.243 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.743 ' HA ' HD11 ' A' ' 91' ' ' ILE . 3.4 pt20 -88.16 36.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -116.18 -14.0 11.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.308 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.58 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.4 t80 -77.31 -40.38 44.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.64 ' CE1' HD21 ' A' ' 16' ' ' LEU . 27.9 m-85 -90.18 14.05 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.934 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.467 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 66.0 m-20 -65.84 106.23 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.505 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -109.03 136.56 48.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.9 m -123.47 163.93 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 6.0 t -85.9 119.37 71.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -4.4 15.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.426 1.75 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.06 -20.3 12.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.2 ttm180 -133.41 143.7 49.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.25 54.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.01 134.69 48.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -102.01 146.76 27.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.661 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.5 m-85 -126.43 132.34 51.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.67 101.11 50.38 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 109.596 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.579 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 161.95 37.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.39 123.62 32.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.743 HD11 ' HA ' ' A' ' 73' ' ' GLN . 9.7 mt -87.19 129.14 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -135.24 132.72 38.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.87 113.39 4.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.84 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.44 113.64 22.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -65.42 -138.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.554 ' O ' ' CB ' ' A' ' 97' ' ' SER . 15.4 t -97.2 142.7 28.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.956 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.1 t 154.47 139.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.2 m -80.19 -5.89 56.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -44.46 -26.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.56 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 19.4 m -67.52 -43.06 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -57.54 -46.17 84.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.5 m -58.34 -41.75 85.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.503 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 9.1 t80 -70.17 -35.7 74.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 100' ' ' VAL . 70.4 mt -66.32 -25.53 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -78.71 -29.71 45.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -72.31 58.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -82.72 -179.91 7.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 140.17 99.42 0.41 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 8.8 m-20 63.37 33.89 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.481 ' CG2' ' HE2' ' A' ' 45' ' ' LYS . 2.6 m -117.3 167.94 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.0 tt -104.29 136.17 44.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.211 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.753 ' N ' HD23 ' A' ' 111' ' ' LEU . 13.7 tt0 -121.43 133.58 55.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.677 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.0 t90 -141.47 153.67 45.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.677 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 57.11 -179.42 0.72 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -124.02 131.59 53.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 110.406 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.56 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 32.2 t80 -79.82 150.92 30.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.685 ' HG2' HD23 ' A' ' 42' ' ' LEU . 58.8 mm-40 -104.78 115.46 30.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.9 124.16 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.85 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 154.6 -80.79 0.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -127.44 -115.84 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -131.98 154.92 48.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 11.2 t80 -79.0 103.1 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.92 109.82 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 7' ' ' PHE . 39.4 mt -102.51 133.51 46.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HG3' ' ND2' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -134.69 110.47 9.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.362 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.32 163.64 27.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -23.89 23.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.798 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.4 m120 -114.56 136.2 53.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -133.17 133.49 42.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 35.3 m-85 -119.6 126.19 50.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.596 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.7 mm? -104.72 131.6 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.434 HG23 ' NE2' ' A' ' 57' ' ' HIS . 20.7 m -119.54 131.42 55.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.804 ' OH ' HD12 ' A' ' 60' ' ' ILE . 2.1 m-85 -123.35 103.51 35.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.91 134.61 18.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 39.63 58.19 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -112.02 124.66 52.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.143 . . . . 0.0 108.354 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -86.18 10.48 14.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 tp -71.21 134.47 46.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.651 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.0 p -86.89 161.97 17.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.365 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.34 -28.83 66.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.18 -47.62 73.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.651 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.9 m120 -68.29 -44.07 76.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 32' ' ' ILE . . . -67.42 -35.95 80.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.732 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.3 tm? -67.91 -47.69 68.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -44.05 91.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.427 ' CD ' HD23 ' A' ' 78' ' ' LEU . 51.5 mt-30 -65.09 -36.25 83.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.717 HD13 ' CD2' ' A' ' 35' ' ' LEU . 6.1 mm -65.43 -33.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.507 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.77 -41.06 92.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.439 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -74.32 -12.37 60.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.717 ' CD2' HD13 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -73.49 115.14 12.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.63 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -87.08 161.95 17.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.529 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.54 155.87 45.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.02 -6.26 17.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.549 1.815 . . . . 0.0 110.95 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.613 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -111.93 -107.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.613 ' N ' ' OG1' ' A' ' 39' ' ' THR . 6.5 t-20 -170.69 143.92 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.635 ' HZ1' HG21 ' A' ' 62' ' ' ILE . 8.5 mtpp -91.09 118.36 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.512 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.1 tp -91.25 -63.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 61.5 t80 -137.23 161.14 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.708 HD12 ' CE3' ' A' ' 113' ' ' TRP . 39.1 mt -136.31 135.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -128.41 108.07 10.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.732 HD12 ' HB2' ' A' ' 29' ' ' LEU . 50.2 mt -114.49 115.02 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 m -124.97 138.83 54.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 4.1 ttt85 -96.93 144.17 27.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.752 ' C ' HD12 ' A' ' 50' ' ' LEU . 25.0 tp10 -145.91 139.38 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.752 HD12 ' C ' ' A' ' 49' ' ' GLU . 7.5 mp -125.22 135.85 52.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -91.34 158.11 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.96 -4.89 18.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -80.09 -2.32 43.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.66 6.7 89.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 6.5 pt-20 -95.93 122.8 57.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.441 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.01 124.84 8.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 7.1 t-80 -116.18 153.66 31.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.859 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -132.59 140.38 48.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.859 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -124.25 137.3 54.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.804 HD12 ' OH ' ' A' ' 18' ' ' TYR . 65.7 mt -135.23 139.85 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.083 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.614 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -138.48 111.02 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.635 HG21 ' HZ1' ' A' ' 41' ' ' LYS . 8.5 mt -117.33 146.62 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.57 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 1.2 pp0? -131.57 119.17 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 56.0 m-85 -93.76 156.82 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.512 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.97 -33.68 74.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.08 163.15 21.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.159 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -59.43 119.33 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.534 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 5.0 t80 -97.48 142.47 29.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.499 ' ND2' ' HG3' ' A' ' 10' ' ' LYS . 5.0 t-20 -102.78 115.72 31.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.509 ' SG ' HD13 ' A' ' 91' ' ' ILE . 12.7 t -111.98 69.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.7 OUTLIER -93.18 29.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -164.6 115.92 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.824 ' HG2' HD12 ' A' ' 91' ' ' ILE . 2.8 mt-30 -82.03 48.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -119.98 -18.48 8.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.938 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.4 t80 -76.88 -38.75 53.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' HD21 ' A' ' 16' ' ' LEU . 22.0 m-85 -88.77 13.17 13.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.417 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.9 m-20 -66.66 109.2 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.427 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -110.15 137.76 47.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 m -122.91 164.22 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 8.1 t -85.55 118.4 70.6 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -1.91 11.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.434 1.755 . . . . 0.0 111.017 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.1 p -114.25 -20.67 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.1 OUTLIER -133.63 144.41 49.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.3 t -77.07 55.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.067 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.35 136.62 50.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.09 147.59 26.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.638 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.0 m-85 -126.31 131.52 51.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.76 101.51 44.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.505 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.0 157.82 42.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.394 1.734 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -87.5 126.56 34.98 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.824 HD12 ' HG2' ' A' ' 73' ' ' GLN . 5.7 mt -94.71 120.19 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -135.58 132.46 37.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.71 128.14 9.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.798 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -76.99 113.88 15.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -7.79 43.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.432 ' HB3' ' CB ' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -101.28 176.02 5.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.805 ' O ' HG22 ' A' ' 100' ' ' VAL . 13.6 p -127.46 -55.96 1.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -80.36 -28.96 37.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.432 ' CB ' ' HB3' ' A' ' 96' ' ' SER . 35.4 t0 -45.99 -24.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 97' ' ' SER . 22.0 m -67.75 -41.21 85.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.244 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.5 OUTLIER -60.52 -39.68 88.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -46.68 84.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 103' ' ' TYR . 1.3 t80 -70.77 -32.96 70.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.8 mt -60.61 -29.32 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.569 1.168 . . . . 0.0 109.349 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.15 -25.11 62.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -74.01 67.94 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -83.06 -175.79 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.43 69.53 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 72.6 74.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.85 164.98 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.812 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.5 tt -105.08 138.95 40.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.812 ' N ' HD23 ' A' ' 111' ' ' LEU . 15.6 tt0 -122.62 132.79 54.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.708 ' CE3' HD12 ' A' ' 44' ' ' ILE . 30.5 t90 -139.57 149.47 43.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.429 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 68.4 -179.13 21.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.3 116.45 23.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 0.707 . . . . 0.0 110.421 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 63' ' ' GLN . 4.6 t80 -79.61 149.76 31.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.497 ' H ' HE22 ' A' ' 63' ' ' GLN . 0.8 OUTLIER -146.99 130.39 16.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.09 . . . . 0.0 110.326 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.3 mm -79.38 135.96 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.392 1.058 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -72.65 -55.02 7.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -83.59 -163.15 34.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.442 0.73 . . . . 0.0 110.306 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 98.2 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -144.76 -125.35 1.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -131.6 142.21 49.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 0.718 . . . . 0.0 110.219 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 10.9 t80 -79.01 102.4 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -132.6 114.42 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.53 HD11 ' CE1' ' A' ' 7' ' ' PHE . 29.3 mt -103.89 134.16 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 111.84 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.42 27.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -82.82 -35.62 26.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.69 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.7 m-80 -113.04 138.98 49.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -130.33 142.18 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.602 ' CE1' HD23 ' A' ' 61' ' ' LEU . 6.7 m-85 -120.51 126.92 51.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 16' ' ' LEU . 2.0 mm? -103.52 130.61 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.539 HG23 ' CE1' ' A' ' 57' ' ' HIS . 57.8 m -118.77 117.22 28.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.587 ' OH ' HD12 ' A' ' 60' ' ' ILE . 6.8 m-85 -110.2 99.18 38.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.9 144.59 30.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 7.9 mttt 39.06 35.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.1 t -100.72 117.02 33.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 108.39 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -87.25 15.22 6.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 tp -67.29 138.42 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.554 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.3 p -86.51 162.99 17.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.65 -28.4 64.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.454 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -66.45 -47.61 72.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.931 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.554 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.4 m120 -67.23 -43.98 80.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.87 -33.88 74.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.666 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.3 tm? -69.11 -44.36 72.59 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 37.4 t -67.87 -45.56 74.18 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.525 1.141 . . . . 0.0 109.955 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' HD13 ' A' ' 35' ' ' LEU . 33.5 mt-30 -65.26 -47.63 76.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.9 mm -65.12 -46.14 92.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.604 ' OG1' HD22 ' A' ' 29' ' ' LEU . 55.2 m -62.42 -36.27 81.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.385 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 30' ' ' SER . 22.5 m120 -80.15 -12.71 59.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.191 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.26 115.91 14.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.517 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.24 161.87 27.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.933 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.734 ' OG1' HG22 ' A' ' 39' ' ' THR . 1.3 t -148.06 152.14 39.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.07 -1.46 11.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.734 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.1 OUTLIER -111.63 -107.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.391 1.057 . . . . 0.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.623 ' H ' HG23 ' A' ' 39' ' ' THR . 0.4 OUTLIER -171.62 129.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HG3' HG21 ' A' ' 37' ' ' THR . 8.1 mtpp -87.86 119.57 28.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.545 HD11 ' N ' ' A' ' 65' ' ' GLU . 5.8 mp -94.47 -88.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 112' ' ' GLU . 44.0 t80 -103.09 155.88 18.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 112' ' ' GLU . 80.2 mt -142.12 115.33 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -115.9 128.61 55.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 29' ' ' LEU . 39.2 mt -126.92 116.18 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.79 139.8 53.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.559 ' HD3' HD23 ' A' ' 58' ' ' LEU . 12.9 ttp180 -96.78 140.56 31.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 22.1 tt0 -131.2 132.03 44.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -100.03 135.84 40.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 24.5 m170 -88.43 155.97 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.632 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -6.77 51.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -87.54 -1.36 57.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.2 6.16 81.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 12.4 pt-20 -96.3 131.26 28.94 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.53 31.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.539 ' CE1' HG23 ' A' ' 17' ' ' THR . 5.2 t60 -139.24 146.78 40.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.534 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.907 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -124.57 143.49 50.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.907 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.49 148.28 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.677 179.916 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.587 HD12 ' OH ' ' A' ' 18' ' ' TYR . 4.4 mt -141.24 142.51 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.602 HD23 ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -139.24 111.79 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.524 ' N ' HD22 ' A' ' 61' ' ' LEU . 4.3 mt -115.47 154.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.574 ' OE1' ' CE1' ' A' ' 116' ' ' PHE . 3.3 tt0 -130.72 116.05 17.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.465 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 72.9 m-85 -93.06 149.84 20.94 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.465 1.103 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.545 ' N ' HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.88 -34.56 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.92 168.7 22.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -58.65 106.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.521 ' HB2' HG21 ' A' ' 39' ' ' THR . 12.9 t80 -87.23 138.94 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -97.17 127.76 43.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.693 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.4 t -126.03 68.66 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.3 t -93.66 29.02 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -153.98 125.42 7.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.538 ' HA ' HD11 ' A' ' 91' ' ' ILE . 2.2 pt20 -89.26 31.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.47 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 9.0 mtm180 -118.67 -11.87 9.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.2 t80 -77.88 -21.65 50.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 30.2 m-85 -113.12 13.9 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.47 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.7 m-20 -66.15 105.07 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.583 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -104.05 136.76 43.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.468 HG12 ' CG ' ' A' ' 86' ' ' HIS . 4.0 m -120.69 163.7 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.4 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.9 t -85.93 119.16 71.64 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -2.76 12.95 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.3 p -112.29 -20.78 11.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.8 143.6 48.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -76.15 56.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.64 141.35 50.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.179 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.468 ' CG ' HG12 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -108.52 148.27 30.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.54 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 18.1 m-85 -126.19 133.27 51.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.86 101.04 42.52 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.587 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 165.87 30.36 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.55 125.41 40.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.693 HG21 ' SG ' ' A' ' 70' ' ' CYS . 11.1 mt -93.7 122.02 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -135.4 133.3 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.247 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.08 119.82 5.55 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.69 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.2 113.38 22.19 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.65 -151.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.542 ' O ' ' CB ' ' A' ' 97' ' ' SER . 2.6 t -87.87 142.99 27.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.064 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 156.47 140.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.4 m -80.21 -6.52 57.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -45.03 -26.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.544 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.5 m -68.1 -42.86 85.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -63.46 -40.61 97.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -49.76 75.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.62 -34.28 77.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 54.0 mt -63.89 -41.35 92.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.397 1.061 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.76 -29.04 68.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.13 74.93 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.431 ' HA ' HG11 ' A' ' 110' ' ' VAL . 32.9 m-20 -82.39 178.11 8.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 133.03 98.18 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 58.6 m-20 63.45 36.09 11.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.551 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -120.62 167.04 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 112' ' ' GLU . 1.1 tt -128.7 115.74 18.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.638 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -106.49 144.72 32.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.561 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.8 t90 -137.8 146.25 43.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.561 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 68.91 -167.15 46.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.15 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.5 m -126.37 128.58 47.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CE1' ' OE1' ' A' ' 63' ' ' GLN . 43.5 t80 -79.81 151.42 30.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -104.74 150.19 24.97 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 120' ' ' GLY . 21.2 mm -97.02 133.39 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.26 -53.91 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 118' ' ' ILE . . . -101.77 -150.95 23.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 10.7 t80 -74.03 103.05 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.06 109.69 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 7' ' ' PHE . 56.9 mt -107.45 135.97 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.46 110.86 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.68 27.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -23.01 24.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.957 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.9 m-80 -114.88 135.79 53.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.8 m-85 -133.57 135.57 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 49.5 m-85 -120.37 126.91 51.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.8 mm? -105.24 135.09 47.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.619 HG23 ' NE2' ' A' ' 57' ' ' HIS . 10.3 m -123.44 123.42 40.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.65 ' OH ' HD12 ' A' ' 60' ' ' ILE . 4.0 m-85 -117.02 102.33 52.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.04 139.98 24.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER 39.21 48.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.9 t -106.49 119.6 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 108.313 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.61 13.97 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.461 HD21 HD22 ' A' ' 78' ' ' LEU . 21.1 tp -70.97 135.42 47.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.634 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.1 p -84.57 162.97 19.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.17 -28.9 65.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.12 -48.08 72.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.634 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.6 m120 -65.68 -44.06 87.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.97 -33.57 73.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.59 ' HB2' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -69.08 -43.3 74.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 51.1 m -68.24 -45.83 72.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.643 ' O ' HD13 ' A' ' 35' ' ' LEU . 34.2 mt-30 -65.77 -46.85 77.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 7.8 mm -64.81 -45.47 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.563 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.8 m -63.66 -36.27 83.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.1 m120 -82.33 -10.25 59.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.45 118.74 17.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.629 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.1 pt20 -79.22 162.67 25.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.488 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.11 158.08 45.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.02 -7.12 18.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.595 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.2 -107.26 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.42 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.595 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.1 t30 -168.52 139.84 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HG3' HG21 ' A' ' 37' ' ' THR . 8.2 mtpp -91.06 121.82 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.95 -86.0 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -103.15 155.28 18.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.779 HD12 ' CE3' ' A' ' 113' ' ' TRP . 95.9 mt -140.78 123.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -122.89 117.25 25.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.59 HD12 ' HB2' ' A' ' 29' ' ' LEU . 57.1 mt -119.81 116.42 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 t -128.35 138.68 52.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 108.321 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.654 ' HA ' HD22 ' A' ' 58' ' ' LEU . 9.1 ttm180 -96.95 143.16 28.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 57' ' ' HIS . 32.8 tt0 -146.26 132.27 19.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 10.2 mp -98.99 135.63 40.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.492 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 63.0 m170 -80.8 156.28 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -6.99 31.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.14 -1.48 53.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.99 5.17 86.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -96.1 132.53 26.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 0.762 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.03 122.91 7.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.619 ' NE2' HG23 ' A' ' 17' ' ' THR . 4.2 t-80 -115.75 154.42 29.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.94 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.4 tm? -127.77 142.43 51.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.94 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -120.75 141.08 50.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.616 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.65 HD12 ' OH ' ' A' ' 18' ' ' TYR . 40.9 mt -139.75 138.54 38.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.42 111.06 7.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.44 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.1 mt -118.51 151.0 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.557 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.79 116.69 14.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 47.7 m-85 -91.01 156.56 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -33.65 74.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.56 159.11 20.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -58.64 117.8 4.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.562 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.3 t80 -96.03 140.62 30.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.44 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.09 107.64 20.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.712 ' SG ' HG21 ' A' ' 91' ' ' ILE . 39.2 t -100.62 67.04 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.411 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.4 t -95.7 30.72 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.468 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -160.97 119.3 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -89.48 38.08 0.89 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.427 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.5 mtt-85 -115.7 -17.65 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.629 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.7 t80 -76.99 -39.84 48.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.421 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 34.2 m-85 -87.98 12.44 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.427 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.2 m-20 -67.2 108.42 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -106.02 136.71 45.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.537 HG12 ' CG ' ' A' ' 86' ' ' HIS . 5.8 m -123.59 164.19 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' ARG . 29.3 t -85.52 118.59 70.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -3.2 13.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.1 p -113.2 -20.77 11.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 47.5 ttt180 -133.6 144.33 49.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.1 t -76.34 57.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.53 136.16 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.537 ' CG ' HG12 ' A' ' 79' ' ' VAL . 26.5 m170 -107.4 147.86 29.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -126.09 135.92 52.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.32 100.38 40.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 156.11 42.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -95.68 120.03 35.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.712 HG21 ' SG ' ' A' ' 70' ' ' CYS . 1.1 mt -84.94 133.51 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -135.15 133.29 39.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.76 122.98 7.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.957 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.594 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 22.0 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -38.74 88.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.7 m -57.5 -47.14 82.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -71.34 -33.63 69.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 27.7 mt -59.61 -33.37 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.65 -30.2 70.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -74.87 73.37 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.02 -176.82 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.91 96.81 0.54 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.81 70.1 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.483 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -140.84 164.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 5.8 tt -104.87 125.21 50.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.402 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.6 OUTLIER -106.85 124.22 49.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.779 ' CE3' HD12 ' A' ' 44' ' ' ILE . 10.7 t90 -138.48 142.9 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.55 175.19 17.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.63 124.43 42.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.594 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.6 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.536 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 9.7 t80 -78.69 102.36 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.88 109.83 9.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 109.947 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.1 mt -101.49 133.81 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.12 111.15 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.39 28.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -85.35 -27.08 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.718 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 25.9 m-80 -117.46 143.99 45.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.7 m-85 -132.99 141.71 48.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 24.9 m-85 -120.36 122.56 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.5 mm? -104.17 129.39 51.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -120.08 122.59 41.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.944 ' OH ' HD12 ' A' ' 60' ' ' ILE . 2.8 m-85 -114.83 103.45 54.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.0 137.3 21.53 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.449 1.763 . . . . 0.0 111.02 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 38.45 42.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 9.1 t -96.62 120.95 37.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.63 13.19 9.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 15.2 tp -71.05 135.07 47.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.506 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.0 p -84.24 161.5 20.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.43 -28.81 66.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -47.63 74.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.506 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.4 m120 -67.09 -43.41 82.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.376 1.047 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.42 -35.78 78.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.614 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.1 tm? -69.27 -41.45 76.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.42 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -68.35 -45.6 72.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.059 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.589 ' O ' HD13 ' A' ' 35' ' ' LEU . 36.6 mt-30 -67.33 -47.94 69.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.565 HG21 HD11 ' A' ' 62' ' ' ILE . 8.5 mm -62.8 -45.58 98.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.614 ' OG1' HD22 ' A' ' 29' ' ' LEU . 53.4 m -64.69 -38.96 92.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.1 m120 -80.45 -9.84 59.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.372 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.589 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -73.78 118.1 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.615 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.96 162.89 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.711 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -147.23 160.31 39.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.98 -25.66 11.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.672 HG21 ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -96.73 -100.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.387 1.055 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.629 ' H ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -174.38 140.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.711 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.5 mtpp -91.17 122.52 33.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -97.19 -85.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 49.3 t80 -103.27 157.3 17.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.619 HD12 ' CE3' ' A' ' 113' ' ' TRP . 95.3 mt -142.39 116.32 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -112.45 127.85 56.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 89.0 mt -128.53 115.58 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.5 t -128.75 138.49 52.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 108.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -99.68 143.31 30.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 8.5 tp10 -145.67 134.77 22.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.7 mm? -98.2 134.48 41.18 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.478 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 39.8 m170 -83.25 153.15 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.567 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.06 -6.87 48.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.403 1.064 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -83.64 1.53 41.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 1.02 89.56 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 18.4 pt-20 -96.68 136.32 21.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 110.345 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.773 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.98 125.93 9.65 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.507 1.793 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.478 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 6.0 t-80 -111.48 155.16 23.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -133.98 137.87 45.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.845 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -121.01 140.81 51.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.645 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.944 HD12 ' OH ' ' A' ' 18' ' ' TYR . 40.0 mt -142.42 139.31 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.3 110.56 7.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.565 HD11 HG21 ' A' ' 32' ' ' ILE . 7.5 mt -117.68 149.03 20.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.86 118.26 15.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.271 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -90.77 157.78 17.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.516 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -59.75 -33.6 71.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.39 1.056 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.85 160.76 22.42 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -59.01 110.91 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.777 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.672 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.0 t80 -88.55 141.56 28.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.452 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.65 117.95 35.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.535 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.2 t -116.23 69.84 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.447 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.1 t -92.71 29.79 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -163.4 120.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.589 ' HA ' HD11 ' A' ' 91' ' ' ILE . 1.1 mt-30 -86.85 43.9 1.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 3.8 mtt180 -116.39 -17.97 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.615 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.97 -40.09 48.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.3 m-85 -87.85 12.92 11.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.429 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.2 m-20 -66.84 105.69 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.569 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -104.44 136.73 43.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.536 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.0 m -124.3 164.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.2 t -84.92 118.83 71.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.821 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.6 p -112.23 -21.12 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.88 144.8 49.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.248 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -76.55 56.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.09 134.3 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 21.0 m170 -105.81 145.61 30.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -126.39 134.87 50.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.18 101.64 48.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.549 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.06 159.38 41.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.39 123.88 32.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.589 HD11 ' HA ' ' A' ' 73' ' ' GLN . 19.9 mt -91.15 126.6 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.3 mm-40 -135.39 132.99 38.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.54 114.18 4.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.544 1.153 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.718 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.543 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 18.5 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -39.58 90.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -48.79 78.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.19 -34.6 77.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.456 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 29.5 mt -66.37 -39.48 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.64 -25.41 64.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -74.74 68.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.92 177.8 8.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.76 95.58 0.42 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 61.06 34.32 19.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 0.815 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.31 165.66 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 112' ' ' GLU . 10.3 tt -105.1 146.62 28.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.466 ' N ' HD23 ' A' ' 111' ' ' LEU . 11.5 tt0 -128.48 127.8 43.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.651 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.5 t90 -140.16 153.42 46.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.651 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.56 177.07 10.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.53 118.74 28.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 0.714 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.543 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 5.0 t80 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.459 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 26.3 t80 -74.08 102.3 4.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.403 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -132.99 115.74 15.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.8 mt -109.26 134.83 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.08 112.48 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.09 163.56 28.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.89 -32.42 25.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.83 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.7 m-80 -114.16 144.8 42.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 7.0 m-85 -133.65 140.86 47.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 111.075 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.626 ' CD2' ' HB2' ' A' ' 94' ' ' ALA . 18.8 m-85 -120.73 122.4 40.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.5 mm? -104.97 139.96 38.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.644 HG23 ' NE2' ' A' ' 57' ' ' HIS . 14.1 m -127.62 119.06 25.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.714 ' OH ' HD12 ' A' ' 60' ' ' ILE . 16.4 m-85 -107.76 101.09 38.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.0 135.57 19.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 39.17 50.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.345 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.2 t -108.15 123.26 48.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.362 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.73 13.83 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 23' ' ' LEU . 15.0 tp -71.11 134.58 47.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.594 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.2 p -85.49 162.57 18.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 110.45 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.31 -29.19 65.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.5 -47.88 74.49 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 110.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.594 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -66.5 -44.51 82.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.489 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.47 -34.6 77.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD13 ' C ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -69.38 -41.84 75.98 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -68.93 -45.07 71.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 110.045 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.531 ' NE2' HD23 ' A' ' 78' ' ' LEU . 7.2 mt-30 -67.69 -47.96 67.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.489 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 4.3 mm -62.74 -46.37 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.528 ' OG1' HD22 ' A' ' 29' ' ' LEU . 53.5 m -63.87 -35.27 80.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.466 HD22 ' N ' ' A' ' 34' ' ' ASN . 1.6 m-80 -83.92 -8.62 59.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.467 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -74.54 118.35 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 1.4 mt-30 -73.56 163.11 28.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.846 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -147.2 158.01 45.03 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 110.444 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.04 -25.53 11.72 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.783 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.17 -101.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.595 ' H ' HG23 ' A' ' 39' ' ' THR . 0.6 OUTLIER -171.26 135.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.846 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.5 mtpp -86.64 119.83 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.37 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.9 -86.05 0.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.46 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 54.8 t80 -103.7 155.77 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.9 mt -137.75 116.21 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.562 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -112.36 126.68 55.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 78.1 mt -129.1 114.82 33.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.437 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 15.2 t -126.92 139.39 53.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HA ' HD22 ' A' ' 58' ' ' LEU . 9.6 ttm180 -97.07 142.35 29.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 26.4 tt0 -140.06 134.0 30.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.71 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.9 mm? -98.42 132.95 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.6 1.188 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.423 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 37.2 m170 -82.68 153.77 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 109.643 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.14 -6.78 47.96 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -85.97 -1.55 57.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.02 4.37 81.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 19.1 pt-20 -96.4 133.56 24.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.71 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.99 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.644 ' NE2' HG23 ' A' ' 17' ' ' THR . 4.4 t-80 -112.45 155.1 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.415 1.072 . . . . 0.0 109.583 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -131.77 137.83 48.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.854 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -116.04 144.91 43.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.566 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.714 HD12 ' OH ' ' A' ' 18' ' ' TYR . 51.9 mt -142.49 135.89 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.82 110.39 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.477 ' N ' HD22 ' A' ' 61' ' ' LEU . 1.9 mt -118.47 151.92 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.567 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.06 114.93 12.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.507 ' CE2' ' HG2' ' A' ' 41' ' ' LYS . 35.3 m-85 -91.08 156.83 17.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -33.66 74.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.2 157.29 18.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.127 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -59.76 115.62 3.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.53 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.8 t80 -91.54 140.31 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.511 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.49 118.17 34.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.619 1.2 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.3 t -115.73 70.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.403 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.4 t -94.43 31.56 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.424 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -161.54 128.66 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.755 ' HA ' HD11 ' A' ' 91' ' ' ILE . 7.0 mt-30 -88.81 33.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.464 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -116.52 -12.51 10.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.0 t80 -77.42 -27.77 52.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 16' ' ' LEU . 32.6 m-85 -104.5 13.55 31.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.464 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 65.7 m-20 -66.2 105.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.531 HD23 ' NE2' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -106.18 136.94 45.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.488 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 3.5 m -122.19 164.74 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' ARG . 34.8 t -85.08 119.25 72.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.949 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -3.18 13.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.6 p -114.0 -20.77 10.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.9 ttm180 -133.69 145.27 49.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.03 54.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.77 135.59 51.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.488 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 25.6 m170 -105.66 146.8 29.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -126.37 134.18 51.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -112.84 99.51 48.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.507 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.5 Cg_endo -74.86 162.31 37.61 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.472 1.775 . . . . 0.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -91.81 123.15 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 73' ' ' GLN . 7.4 mt -85.43 132.86 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -135.25 133.03 38.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.346 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.7 114.52 4.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.83 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.513 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.5 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -43.5 98.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -57.6 -48.5 79.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.158 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 26.8 t80 -66.16 -36.03 82.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 111.046 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.568 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 58.8 mt -65.13 -37.49 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -30.56 68.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -75.0 72.54 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -82.99 172.19 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.426 ' O ' HG13 ' A' ' 110' ' ' VAL . . . 152.65 95.14 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 61.34 33.06 19.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 0.76 . . . . 0.0 109.237 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 108' ' ' GLY . 1.2 m -119.36 166.34 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.752 HD23 ' N ' ' A' ' 112' ' ' GLU . 6.2 tt -104.88 147.4 27.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.373 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.752 ' N ' HD23 ' A' ' 111' ' ' LEU . 33.3 mt-10 -133.73 130.71 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.676 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 11.3 t90 -138.83 152.75 48.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 108.048 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.676 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.22 179.78 10.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.38 121.08 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 6.2 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.548 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 9.4 t80 -79.2 102.33 8.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.418 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.82 115.83 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.938 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.447 HD11 ' CE1' ' A' ' 7' ' ' PHE . 27.1 mt -108.32 131.95 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.85 111.19 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.65 27.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -33.25 27.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.694 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.9 m-80 -114.43 141.22 47.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.462 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 7.2 m-85 -128.02 142.87 51.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.592 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 29.6 m-85 -120.19 121.45 38.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.794 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.4 mm? -104.48 129.62 52.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.586 HG23 ' NE2' ' A' ' 57' ' ' HIS . 24.3 m -122.2 124.48 43.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.505 ' CE2' HD13 ' A' ' 78' ' ' LEU . 9.4 m-85 -113.1 102.14 54.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.53 19.2 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 tttm 39.96 53.1 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.2 t -113.6 125.8 54.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.323 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.15 15.19 6.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 tp -70.89 134.16 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.692 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -87.13 162.82 17.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 8.2 pttt -70.63 -29.33 65.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -48.11 72.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.692 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.2 m120 -65.75 -44.05 87.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.02 -33.23 73.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.599 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.8 OUTLIER -69.01 -42.27 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.403 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 9.0 t -68.44 -45.57 72.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.585 ' O ' HD13 ' A' ' 35' ' ' LEU . 13.3 mt-30 -66.4 -47.55 72.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.107 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.419 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.9 mm -63.91 -45.25 97.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.599 ' HG1' HD22 ' A' ' 29' ' ' LEU . 43.4 m -63.67 -37.74 88.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.9 m120 -82.94 -7.1 59.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -74.43 119.54 18.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.0 mt-30 -82.25 161.19 22.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.612 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -148.82 156.43 41.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.493 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.461 1.769 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.612 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -116.26 -108.02 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.438 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.602 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t30 -173.16 140.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 8.3 mttp -89.85 118.89 29.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 65' ' ' GLU . 0.8 OUTLIER -90.93 -54.8 3.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.405 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 44.7 t80 -137.52 156.43 48.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.495 HD12 ' CE3' ' A' ' 113' ' ' TRP . 77.3 mt -140.0 117.19 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' CE ' HG21 ' A' ' 110' ' ' VAL . 5.6 tptt -115.95 126.8 54.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 53.3 mt -128.7 115.99 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.8 t -129.24 138.47 51.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 108.346 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -98.4 143.28 29.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.673 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 8.1 tp10 -141.53 134.68 29.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.674 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.1 mm? -97.9 135.26 39.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.429 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 40.9 m170 -84.28 155.5 22.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.558 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.97 -6.8 49.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -86.66 0.06 55.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.81 5.01 86.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.429 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 21.4 pt-20 -96.25 132.67 26.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.674 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.0 Cg_endo -75.09 123.5 7.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.452 1.764 . . . . 0.0 110.947 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.673 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 3.6 t-80 -111.78 155.59 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.647 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.791 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -132.7 134.8 45.25 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.791 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -118.58 142.92 47.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.551 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.414 HG13 HD12 ' A' ' 58' ' ' LEU . 39.7 mt -142.73 140.5 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.592 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.25 110.69 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.484 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 4.6 mt -117.07 149.93 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.454 ' HG2' ' CD1' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.97 116.14 13.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 110.3 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 47.5 m-85 -91.91 156.08 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.56 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -61.64 -33.45 73.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.32 156.37 19.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -59.07 117.24 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.462 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 4.9 t80 -95.66 142.19 28.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.82 114.21 28.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.4 t -112.39 70.69 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 108.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.418 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.5 t -95.27 31.07 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 74' ' ' ARG . 29.1 t-20 -168.54 114.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.438 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -75.85 56.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.418 ' HG3' ' ND2' ' A' ' 72' ' ' ASN . 2.7 mmt85 -119.46 -29.05 5.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.8 t80 -74.07 -34.25 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.794 ' CE1' HD21 ' A' ' 16' ' ' LEU . 27.8 m-85 -91.96 12.47 21.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 73.0 m-20 -66.81 109.02 2.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.548 HD23 ' NE2' ' A' ' 31' ' ' GLN . 1.3 mt -111.84 136.83 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 m -123.76 164.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.2 t -85.75 118.94 71.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -4.52 15.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.8 p -111.15 -20.6 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 80' ' ' SER . 22.6 tpp180 -133.1 142.91 48.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.2 p -76.23 56.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.053 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.28 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -107.79 146.58 32.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.633 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.4 m-85 -126.36 133.27 51.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.53 102.97 53.39 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.176 . . . . 0.0 109.623 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.94 162.26 37.55 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.502 1.791 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -87.42 122.26 30.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.55 HG12 ' CD2' ' A' ' 76' ' ' PHE . 12.3 mt -90.64 126.28 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 3.1 tt0 -135.2 133.03 38.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.24 114.06 4.88 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -41.28 97.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 t -57.56 -46.77 83.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.497 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 1.4 t80 -70.13 -38.91 75.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.6 mt -59.49 -27.31 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.45 -39.73 24.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.707 ' CG ' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -74.83 73.4 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.408 ' HA ' HG11 ' A' ' 110' ' ' VAL . 3.3 p-10 -83.12 -163.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.36 99.16 1.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 61.28 39.56 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -119.22 163.47 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 5.4 tt -105.43 125.14 50.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -110.24 128.01 55.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.597 1.186 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.495 ' CE3' HD12 ' A' ' 44' ' ' ILE . 11.4 t90 -140.86 133.18 28.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.937 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.25 -175.46 54.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.62 131.58 53.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 0.716 . . . . 0.0 110.385 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 63' ' ' GLN . 13.2 t80 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.589 ' CE1' HD11 ' A' ' 9' ' ' ILE . 10.6 t80 -74.55 101.68 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.432 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -133.58 119.03 18.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.06 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 7' ' ' PHE . 37.6 mt -114.12 136.18 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 110.65 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.36 163.24 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -84.49 -26.35 28.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.88 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 6.2 m-80 -117.8 141.73 48.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 70' ' ' CYS . 4.6 m-85 -133.37 143.38 48.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 24.3 m-85 -119.77 125.0 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.4 mm? -104.86 133.51 49.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.577 HG23 ' NE2' ' A' ' 57' ' ' HIS . 11.4 m -121.07 117.94 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 15.6 m-85 -109.76 102.19 49.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -75.04 135.03 18.46 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER 39.71 52.31 2.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.8 t -109.99 123.39 49.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.267 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 14.57 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 tp -70.98 134.52 47.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.4 p -86.89 165.06 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' CB ' HG21 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -71.11 -29.03 64.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -65.34 -48.52 72.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.407 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 8.1 m120 -66.76 -43.81 83.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.83 -32.87 73.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.548 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.11 -44.63 72.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -43.42 74.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.561 ' O ' HD13 ' A' ' 35' ' ' LEU . 16.1 mt-30 -66.13 -48.1 71.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.425 HG21 HD11 ' A' ' 62' ' ' ILE . 16.8 mm -65.49 -45.28 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.548 ' OG1' HD22 ' A' ' 29' ' ' LEU . 51.1 m -63.66 -33.54 75.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.374 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -85.14 -9.82 57.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.3 118.67 17.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.065 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.602 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.0 tt0 -80.63 162.48 24.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.561 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.64 158.33 43.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.498 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.1 -5.22 16.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.591 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.9 -107.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.591 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.1 t30 -168.34 140.28 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.575 ' HZ2' HD11 ' A' ' 44' ' ' ILE . 4.7 mtpm? -90.87 121.25 32.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' HA3' ' A' ' 114' ' ' GLY . 1.1 tp -96.8 -87.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 66.9 t80 -104.97 163.33 12.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.575 HD11 ' HZ2' ' A' ' 41' ' ' LYS . 12.6 mt -141.23 128.7 21.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -121.35 108.49 13.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 25' ' ' LYS . 91.2 mt -113.2 115.44 49.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.137 . . . . 0.0 109.384 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -132.41 138.62 47.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 108.317 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -96.98 143.12 28.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -139.53 133.88 31.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.696 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.2 mm? -98.42 135.15 40.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 41.7 m170 -84.39 155.57 22.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 109.557 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.99 -6.91 51.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -86.11 0.63 53.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.84 4.33 87.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.399 1.062 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.416 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 22.1 pt-20 -96.31 133.68 24.61 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.696 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.99 123.38 7.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.577 ' NE2' HG23 ' A' ' 17' ' ' THR . 6.4 t-80 -111.99 153.25 27.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 0.0 109.602 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -128.92 137.31 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.835 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -119.89 141.85 49.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.477 HD11 ' HB1' ' A' ' 28' ' ' ALA . 45.2 mt -141.0 139.09 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.525 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -138.37 110.05 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.516 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.6 mt -115.93 151.07 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.44 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.74 116.68 14.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -91.38 156.41 17.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -33.66 74.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.59 155.44 17.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -58.91 114.33 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.545 ' HB2' HG21 ' A' ' 39' ' ' THR . 4.1 t80 -92.68 142.28 27.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.425 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -100.34 107.4 19.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.826 ' SG ' HG21 ' A' ' 91' ' ' ILE . 37.4 t -103.89 70.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.432 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 2.6 t -98.67 32.4 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -162.46 120.83 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.772 ' HG2' HD12 ' A' ' 91' ' ' ILE . 26.5 mt-30 -87.64 42.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -116.2 -21.32 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.241 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.6 t80 -76.54 -38.72 54.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.519 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 26.5 m-85 -87.94 12.66 12.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 72.6 m-20 -66.71 106.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.555 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.4 mt -109.3 136.91 47.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.35 163.48 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 8.5 t -86.65 116.68 66.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.975 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 1.74 7.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 p -108.66 -25.8 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.354 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 3.0 ptp180 -137.11 150.52 48.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.77 60.31 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.948 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.88 140.54 50.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -109.15 147.77 31.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.549 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 13.6 m-85 -126.17 132.95 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.14 100.18 48.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.93 159.23 41.85 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.1 122.22 31.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.826 HG21 ' SG ' ' A' ' 70' ' ' CYS . 19.9 mt -86.86 128.84 39.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 3.6 mt-30 -135.45 132.84 37.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.252 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.4 113.91 4.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.509 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 12.8 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -48.08 80.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -57.99 -46.78 84.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -65.31 -33.8 76.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.2 mt -67.85 -32.34 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -70.9 -20.68 62.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -74.77 68.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.85 162.82 21.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 140.29 81.12 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.12 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 2.6 m-20 79.66 54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -141.03 168.28 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 112' ' ' GLU . 1.6 tt -130.29 115.75 17.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.065 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.567 ' N ' HD23 ' A' ' 111' ' ' LEU . 10.5 pm0 -110.0 145.88 36.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.655 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.6 t90 -129.9 153.22 48.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.008 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.655 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.91 -171.17 12.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 111.058 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.7 m -124.45 129.16 50.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.509 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 19.8 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 ttt85 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' CE1' HD11 ' A' ' 9' ' ' ILE . 27.8 t80 -77.41 102.16 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.423 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -133.01 115.29 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.944 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.519 HD11 ' CE1' ' A' ' 7' ' ' PHE . 60.0 mt -108.65 131.89 58.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 111.99 10.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.23 163.57 28.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.87 -34.47 33.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.652 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.2 m-80 -114.17 147.88 38.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.4 m-85 -133.19 142.68 48.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 25.2 m-85 -120.4 121.78 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.1 mm? -104.29 129.33 52.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.567 HG23 ' NE2' ' A' ' 57' ' ' HIS . 28.0 m -122.1 118.24 28.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.54 ' CE2' HD13 ' A' ' 78' ' ' LEU . 15.0 m-85 -107.31 101.98 41.53 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.08 139.67 24.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 6.2 mtmt 39.89 47.05 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.402 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.9 t -110.53 121.0 44.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.227 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.61 15.62 6.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 tp -68.62 136.02 52.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.658 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.4 p -86.93 162.24 17.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 5.5 pttp -69.77 -29.07 66.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -47.59 75.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.271 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.658 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.9 m120 -68.03 -44.29 76.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -66.7 -36.2 81.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.64 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.6 tm? -69.13 -43.75 73.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -63.65 -44.67 93.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.549 ' O ' HD13 ' A' ' 35' ' ' LEU . 5.8 mt-30 -70.4 -44.94 66.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.436 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.8 mm -61.52 -45.38 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.64 ' HG1' HD22 ' A' ' 29' ' ' LEU . 35.7 m -63.88 -34.21 77.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.2 m120 -84.83 -8.78 58.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.41 118.81 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.616 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 36.9 mt-30 -83.55 162.27 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.499 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.59 157.33 44.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.0 -6.39 18.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.603 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.47 -106.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.427 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -171.03 143.33 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HE3' HD11 ' A' ' 44' ' ' ILE . 7.5 mtpp -89.17 117.32 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.378 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.46 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -92.26 -55.48 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 40.1 t80 -137.23 152.68 50.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.422 HD11 ' HE3' ' A' ' 41' ' ' LYS . 76.2 mt -138.32 117.7 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HE2' HG21 ' A' ' 110' ' ' VAL . 4.2 tptm -118.16 128.43 54.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 39.1 mt -128.37 115.31 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.4 ' SG ' ' CG1' ' A' ' 110' ' ' VAL . 46.9 t -127.53 137.02 52.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.354 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.454 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 17.5 ttt180 -103.98 141.75 35.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -141.21 133.57 28.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.901 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.8 mm? -98.83 135.09 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.441 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 54.4 m170 -81.32 154.32 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -74.3 -6.67 49.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.346 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -86.17 1.39 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.61 3.83 88.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 12.8 pt-20 -96.51 133.05 25.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.901 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.5 Cg_endo -74.94 148.56 35.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.072 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.567 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.8 t-80 -141.0 151.08 43.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.528 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.87 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -128.71 140.17 51.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.87 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -124.06 140.07 53.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.599 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.471 HG13 HD12 ' A' ' 58' ' ' LEU . 58.6 mt -143.08 139.28 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.563 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.33 109.92 7.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.441 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.1 mt -115.71 150.24 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.58 ' HG2' ' CE1' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.11 116.48 13.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.262 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 41.3 m-85 -90.63 156.76 17.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -61.22 -33.88 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.37 158.03 19.66 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -59.32 113.82 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.574 ' HB2' HG21 ' A' ' 39' ' ' THR . 4.1 t80 -92.35 138.8 31.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.401 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.64 107.19 19.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.1 t -105.79 70.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.531 1.144 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.2 t -93.2 29.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -159.25 120.41 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 21.8 mt-30 -87.16 42.65 1.04 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 3.7 mmt85 -116.78 -19.55 9.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.616 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.7 t80 -76.83 -39.24 51.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CD2' HG12 ' A' ' 91' ' ' ILE . 27.4 m-85 -87.97 12.64 12.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.413 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.5 m-20 -66.92 107.35 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -106.85 137.07 45.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.428 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.4 m -122.52 164.59 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 21.2 t -85.31 118.71 71.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.42 13.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.598 1.841 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 p -112.86 -20.71 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' SER . 2.6 ttt180 -133.56 144.51 49.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -76.7 55.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.8 140.23 51.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.428 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 27.0 m170 -107.59 147.93 29.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.564 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 22.2 m-85 -126.23 136.03 52.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.79 100.98 48.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.01 160.63 39.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -92.19 115.48 28.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.493 HG12 ' CD2' ' A' ' 76' ' ' PHE . 10.1 mt -86.91 127.56 40.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.15 132.91 38.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.88 114.49 4.57 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.652 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.485 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.0 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -50.39 71.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.4 t -57.93 -49.32 77.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.949 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -62.39 -35.45 79.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 26.2 mt -67.22 -31.22 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.062 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.18 -29.27 60.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -74.67 69.56 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -83.09 172.16 12.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.39 96.7 0.14 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 61.44 34.48 18.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 0.0 109.368 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.541 HG21 ' HE2' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -120.09 166.82 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.4 tt -104.66 143.93 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.623 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -127.74 129.94 47.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.221 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.605 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 18.5 t90 -138.24 152.26 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.605 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 63.49 -178.82 6.5 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -124.28 124.02 41.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 0.814 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 63' ' ' GLN . 19.1 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.634 ' CE1' HD11 ' A' ' 9' ' ' ILE . 9.6 t80 -74.69 102.12 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 111.082 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.4 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -132.96 111.46 11.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.634 HD11 ' CE1' ' A' ' 7' ' ' PHE . 19.8 mt -108.42 139.55 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.83 111.37 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.5 163.23 27.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -88.23 -25.83 22.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.745 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 7.4 m-80 -117.93 131.37 56.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 11.8 m-85 -126.42 142.82 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.594 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 20.8 m-85 -120.39 122.94 41.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.543 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.7 mm? -104.68 129.62 52.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -113.99 121.54 44.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.574 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 17.7 m-85 -111.95 102.96 54.81 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.03 136.89 20.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER 38.03 51.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.368 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 13.8 t -106.64 123.15 47.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -86.31 11.61 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD21 HD22 ' A' ' 78' ' ' LEU . 23.9 tp -71.34 134.21 46.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.677 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 9.2 p -85.13 159.22 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HB3' HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -67.1 -29.45 69.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.06 -47.88 72.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.677 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 5.2 m120 -66.45 -43.27 86.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.729 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.81 -36.03 82.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.631 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.4 OUTLIER -69.22 -41.89 76.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.416 ' N ' HD13 ' A' ' 29' ' ' LEU . 3.5 m -68.1 -45.33 74.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.535 ' CD ' HD23 ' A' ' 78' ' ' LEU . 58.3 mt-30 -66.98 -47.59 71.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 3.5 mm -63.76 -45.43 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.23 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.631 ' HG1' HD22 ' A' ' 29' ' ' LEU . 23.8 m -61.87 -33.84 74.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -84.38 -9.49 58.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.175 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -74.62 118.83 18.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.611 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.6 OUTLIER -79.08 162.5 25.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.611 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -147.47 156.95 45.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.345 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -74.93 -7.48 19.26 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.57 1.827 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -110.62 -107.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.39 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.585 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.9 OUTLIER -168.32 132.36 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.611 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.5 mtpp -87.07 118.67 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.691 HD13 ' HB2' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -94.44 -84.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.382 1.052 . . . . 0.0 109.354 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 56.2 t80 -103.71 156.15 18.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 62' ' ' ILE . 87.6 mt -143.82 115.89 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 26.1 tptp -123.06 127.53 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.523 HG23 HD11 ' A' ' 58' ' ' LEU . 4.9 mt -126.12 115.62 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.418 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 27.2 t -116.06 138.95 50.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.343 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -96.87 141.52 29.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -149.47 134.26 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.423 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 9.3 mp -98.7 135.85 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.6 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 59.5 m170 -82.71 156.99 23.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.653 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.52 -5.51 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -80.8 1.59 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.78 -0.5 86.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 2.8 pt-20 -96.12 137.94 21.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.44 0.729 . . . . 0.0 110.349 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.423 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.5 Cg_endo -74.95 123.34 7.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.6 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 4.3 t-80 -110.24 155.05 22.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.851 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -127.08 138.36 53.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.851 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -117.88 137.05 53.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.729 HD11 ' HB1' ' A' ' 28' ' ' ALA . 4.0 mt -132.4 137.19 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.594 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 tm? -138.71 110.47 7.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.656 HG23 HG12 ' A' ' 44' ' ' ILE . 1.6 mt -121.01 151.18 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' CG ' ' HB3' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -136.09 116.57 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -91.61 154.42 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.691 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -61.88 -33.83 74.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.35 156.87 17.75 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -58.82 112.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 0.731 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.585 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 5.8 t80 -90.74 142.45 27.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.53 110.73 23.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.807 ' SG ' HD13 ' A' ' 91' ' ' ILE . 8.9 t -105.79 68.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.4 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.7 t -96.87 31.55 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 110.333 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -162.21 123.31 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.825 ' HA ' HD11 ' A' ' 91' ' ' ILE . 1.3 pt20 -89.83 38.08 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 7.0 mmt180 -115.45 -17.94 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.247 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 9.6 t80 -76.99 -38.85 52.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CE1' HD21 ' A' ' 16' ' ' LEU . 14.8 m-85 -88.31 13.01 12.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 66.3 m-20 -66.44 106.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.535 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.1 mt -108.07 138.37 44.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.452 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 1.9 m -122.66 165.15 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 34.0 t -84.87 118.99 72.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.937 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.98 14.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.3 p -112.92 -20.59 11.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 80' ' ' SER . 7.1 ttm180 -133.64 144.93 49.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.93 55.53 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.74 142.79 51.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.452 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 27.6 m170 -108.5 147.67 31.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.586 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 19.8 m-85 -126.28 132.0 51.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.53 100.95 44.23 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.577 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.574 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.09 163.07 35.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -91.42 124.23 35.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.825 HD11 ' HA ' ' A' ' 73' ' ' GLN . 48.4 mt -83.83 126.23 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -135.39 132.27 37.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.07 113.78 4.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.493 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.7 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' N ' HG23 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -58.71 -39.61 81.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -45.0 86.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -70.74 -33.67 71.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 77.5 mt -67.82 -33.53 62.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.6 -22.9 59.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -74.97 68.28 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -82.67 154.05 25.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 148.46 100.31 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 33.6 m-20 64.29 36.18 9.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.478 HG21 ' HE2' ' A' ' 45' ' ' LYS . 2.7 m -122.41 168.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.543 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -129.28 119.37 23.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -105.91 145.81 30.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.433 ' N ' ' HG2' ' A' ' 112' ' ' GLU . 12.4 t90 -140.5 140.8 35.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 108.035 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.47 -171.59 54.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -123.81 127.42 48.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 0.747 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.493 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 19.0 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.613 ' CE1' HD11 ' A' ' 9' ' ' ILE . 10.0 t80 -78.61 102.17 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.419 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.94 116.06 15.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 7' ' ' PHE . 22.7 mt -112.56 136.61 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 112.13 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.16 163.48 28.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.258 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -34.69 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.744 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.8 m-80 -113.96 144.73 42.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 8.6 m-85 -132.94 143.49 49.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 15.2 m-85 -120.72 119.52 33.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.1 mm? -104.47 134.21 48.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.731 HG23 ' NE2' ' A' ' 57' ' ' HIS . 91.6 m -123.14 137.71 54.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.44 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.714 ' OH ' HD12 ' A' ' 60' ' ' ILE . 1.8 m-85 -123.5 101.95 36.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.9 21.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt 39.54 47.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.8 t -107.08 123.46 48.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.94 14.65 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.04 135.19 47.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.685 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.0 p -86.91 163.11 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.54 -29.34 65.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -47.38 74.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.685 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -67.29 -43.62 81.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' O ' ' HB ' ' A' ' 32' ' ' ILE . . . -67.23 -36.98 82.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.671 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.8 OUTLIER -68.98 -43.74 74.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.408 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 42.6 m -63.76 -45.19 90.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.598 ' O ' HD13 ' A' ' 35' ' ' LEU . 37.4 mt-30 -68.34 -47.09 68.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.781 HD13 ' CD2' ' A' ' 35' ' ' LEU . 9.6 mm -61.76 -44.97 99.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.671 ' HG1' HD22 ' A' ' 29' ' ' LEU . 99.9 m -62.31 -32.27 72.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.4 m120 -87.64 -8.09 56.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.781 ' CD2' HD13 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -73.9 117.72 16.01 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.607 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.8 mt-30 -81.21 160.5 24.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.561 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -148.87 156.81 40.98 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.0 -1.84 11.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.575 1.829 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.617 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -117.94 -108.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.617 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t30 -172.32 143.65 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -90.1 117.54 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.461 ' HA ' HD12 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -87.31 -61.12 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 62.5 t80 -137.49 158.37 44.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.437 HG23 HG12 ' A' ' 62' ' ' ILE . 36.7 mt -136.72 129.35 44.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 3.0 tmtt? -127.4 110.56 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.597 HD12 ' HB2' ' A' ' 29' ' ' LEU . 53.2 mt -116.26 116.29 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.82 132.81 47.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.268 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 141.85 29.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . 26.3 tp10 -148.93 134.32 18.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 7.6 mp -97.22 135.27 39.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.549 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 54.8 m170 -82.65 157.63 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -5.71 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -81.32 -0.45 41.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.77 2.92 90.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -96.14 133.69 24.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 0.789 . . . . 0.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.07 123.58 7.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.731 ' NE2' HG23 ' A' ' 17' ' ' THR . 1.7 t-80 -120.85 155.62 33.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.562 HD21 HG23 ' A' ' 46' ' ' ILE . 4.5 tt -135.41 143.23 45.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.431 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -116.09 150.6 37.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.581 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.714 HD12 ' OH ' ' A' ' 18' ' ' TYR . 4.4 mt -142.6 137.02 28.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.556 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -138.16 110.4 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.507 ' N ' HD22 ' A' ' 61' ' ' LEU . 4.0 mt -121.09 149.98 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.217 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.551 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.85 116.96 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.329 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 53.3 m-85 -91.36 156.46 17.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 111.049 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -33.66 74.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.23 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.6 156.47 18.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -59.19 118.91 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.447 0.733 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.425 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 7.4 t80 -97.41 142.4 29.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.55 111.11 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.2 t -105.49 69.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 108.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.419 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.9 t -98.84 33.2 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -170.59 113.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.232 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.482 ' HB3' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -79.58 50.11 1.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HA ' ' OD2' ' A' ' 77' ' ' ASP . 4.6 mmm-85 -116.29 -24.01 8.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.0 t80 -76.41 -38.35 55.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.523 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 23.4 m-85 -88.08 12.92 12.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.41 ' OD2' ' HA ' ' A' ' 74' ' ' ARG . 75.2 m-20 -66.36 106.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.627 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -108.4 136.54 47.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.536 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 4.0 m -124.22 164.66 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.504 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 8.2 t -85.25 119.61 72.54 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.87 14.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -20.41 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.474 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.7 tpp180 -133.37 143.78 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.1 t -76.73 55.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.5 141.14 51.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 25.5 m170 -107.86 145.9 33.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.398 1.061 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 80' ' ' SER . 12.1 m-85 -126.52 132.88 51.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -114.69 101.91 54.59 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.591 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.03 166.18 29.71 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -87.26 123.36 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.61 HG21 ' SG ' ' A' ' 70' ' ' CYS . 9.6 mt -89.09 128.37 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -135.35 132.95 38.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.194 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.4 114.25 4.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.744 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.474 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.7 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -44.87 89.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.5 m -57.86 -49.3 77.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.418 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 70.3 t80 -63.8 -34.76 78.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 116' ' ' PHE . 82.5 mt -68.94 -38.16 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -25.09 66.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -74.83 71.71 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.414 ' HA ' HG11 ' A' ' 110' ' ' VAL . 2.2 t0 -82.81 177.41 8.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 138.23 90.31 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.8 OUTLIER 63.49 37.62 10.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -116.4 161.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 29' ' ' LEU . 5.1 tt -105.03 121.9 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' N ' HD23 ' A' ' 111' ' ' LEU . 48.5 mt-10 -113.14 134.66 54.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 110.335 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.548 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 9.6 t90 -140.88 144.62 35.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 107.99 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.548 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 73.66 -177.2 44.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.76 119.07 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CE2' ' HG2' ' A' ' 63' ' ' GLN . 11.9 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 10.0 t80 -78.91 102.51 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.405 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -132.51 113.59 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' A' ' 7' ' ' PHE . 44.3 mt -106.8 133.63 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.61 111.96 10.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.42 163.35 27.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.75 -33.6 30.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.725 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.9 m-80 -114.42 146.06 41.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.2 m-85 -132.24 144.13 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 61' ' ' LEU . 14.0 m-85 -120.08 121.76 39.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -104.9 133.83 49.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.835 HG23 ' NE2' ' A' ' 57' ' ' HIS . 60.9 m -124.02 117.98 25.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.8 ' OH ' HD12 ' A' ' 60' ' ' ILE . 13.8 m-85 -106.65 102.42 41.59 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.05 137.05 21.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' PRO . 11.3 tttt 39.15 44.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.503 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.3 t -102.3 121.07 41.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.095 . . . . 0.0 108.254 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.72 13.89 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.4 HD21 HD22 ' A' ' 78' ' ' LEU . 20.1 tp -71.04 135.67 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 p -86.78 164.97 16.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.87 -27.93 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.462 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 6.6 mt-10 -66.02 -48.57 70.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.413 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 8.2 m120 -67.07 -44.31 80.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.47 -34.12 76.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.601 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -68.91 -44.31 73.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.407 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 74.8 m -67.86 -45.27 75.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.092 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.588 ' O ' HD13 ' A' ' 35' ' ' LEU . 10.6 mt-30 -66.1 -47.53 73.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.2 mm -64.86 -45.76 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.601 ' HG1' HD22 ' A' ' 29' ' ' LEU . 43.0 m -62.49 -38.71 90.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.7 m120 -81.28 -9.34 59.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.49 118.72 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.632 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.6 tm0? -82.22 162.78 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.064 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.551 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -146.8 158.9 45.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.401 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -75.02 -4.15 14.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.757 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.605 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -116.43 -107.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.407 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.605 ' H ' HG23 ' A' ' 39' ' ' THR . 1.3 t30 -169.88 141.08 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -90.79 120.45 31.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -92.5 -57.68 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.379 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' O ' HG23 ' A' ' 62' ' ' ILE . 58.1 t80 -138.48 158.62 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.2 mt -137.66 121.5 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' HE3' HG21 ' A' ' 110' ' ' VAL . 10.7 tptt -114.17 124.67 52.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.567 HG23 HD21 ' A' ' 58' ' ' LEU . 30.8 mt -129.79 116.16 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 55.8 m -130.2 137.2 49.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.249 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.4 143.79 27.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' HIS . 9.0 tp10 -145.63 133.52 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 1.0 OUTLIER -98.21 135.23 40.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.46 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 20.6 m170 -89.39 156.8 18.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.18 -6.55 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -83.28 -4.63 58.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.92 0.18 81.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -96.3 126.23 44.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 110.286 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.66 8.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.835 ' NE2' HG23 ' A' ' 17' ' ' THR . 3.5 t-80 -118.47 156.39 29.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.567 HD21 HG23 ' A' ' 46' ' ' ILE . 5.0 tt -135.39 143.0 45.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.541 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -116.93 144.88 44.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.598 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.8 HD12 ' OH ' ' A' ' 18' ' ' TYR . 42.3 mt -142.42 137.62 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 61' ' ' LEU . 1.2 tm? -136.18 110.2 8.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 43' ' ' PHE . 3.0 mt -115.36 151.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.509 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.7 116.34 13.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.07 . . . . 0.0 110.342 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -91.43 156.46 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.548 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.32 -33.94 74.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.5 155.64 18.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -59.24 112.84 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.577 ' HB2' HG21 ' A' ' 39' ' ' THR . 6.5 t80 -91.03 142.35 27.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.97 106.35 17.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.567 ' SG ' HG21 ' A' ' 91' ' ' ILE . 12.6 t -102.74 70.39 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.147 . . . . 0.0 108.253 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.3 t -94.95 30.62 2.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 110.447 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -161.94 117.88 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.933 ' HG2' HD12 ' A' ' 91' ' ' ILE . 9.0 mt-30 -86.74 43.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.228 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.401 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 4.2 mtm180 -117.18 -20.0 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.632 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.8 -38.74 53.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.539 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 33.5 m-85 -87.79 12.2 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.401 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 71.2 m-20 -66.91 108.22 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD23 ' NE2' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -109.24 137.1 47.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.548 ' CG1' ' CG ' ' A' ' 86' ' ' HIS . 4.4 m -126.11 164.61 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 9.7 t -85.16 118.88 71.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -2.26 12.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.2 p -113.67 -21.01 10.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.356 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 4.3 ttm180 -134.08 144.92 48.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.253 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.35 54.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.945 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.71 125.27 39.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.548 ' CG ' ' CG1' ' A' ' 79' ' ' VAL . 19.3 m170 -95.33 147.73 23.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.661 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 21.5 m-85 -126.23 131.22 51.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.71 101.24 42.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.479 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.94 158.11 42.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.75 121.79 32.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.933 HD12 ' HG2' ' A' ' 73' ' ' GLN . 7.1 mt -88.77 128.61 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.231 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -135.45 133.16 38.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.342 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.4 113.89 4.5 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.461 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 14.1 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.1 tptt -61.28 -40.94 95.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 t -57.81 -45.47 86.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.978 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.471 ' CE2' ' HG2' ' A' ' 45' ' ' LYS . 22.1 t80 -69.68 -33.4 72.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.497 HD11 ' CE2' ' A' ' 116' ' ' PHE . 66.2 mt -67.49 -36.21 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.92 -25.91 66.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -74.44 71.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.99 -172.94 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 114.0 101.14 2.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 2.2 m-20 63.42 43.64 5.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -131.29 166.98 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 112' ' ' GLU . 1.1 tt -131.45 113.94 14.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.567 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.3 OUTLIER -113.07 145.08 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.622 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 20.4 t90 -131.14 154.69 48.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.614 1.196 . . . . 0.0 108.039 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.622 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 70.7 -174.69 38.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -124.31 119.56 29.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.509 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 6.5 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 30.7 t80 -76.16 102.57 5.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.8 113.91 13.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.9 mt -111.87 135.58 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -134.52 109.94 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.165 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.46 163.63 27.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -21.35 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.593 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.6 m-80 -117.17 134.62 54.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.578 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 4.5 m-85 -131.04 137.16 49.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 23.8 m-85 -120.29 124.62 46.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.588 HD21 ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -104.77 129.37 53.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' NE2' ' A' ' 57' ' ' HIS . 31.8 m -119.46 118.23 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.929 ' OH ' HD12 ' A' ' 60' ' ' ILE . 4.4 m-85 -108.95 104.24 54.32 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.05 136.52 20.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.442 1.759 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 39.79 48.14 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -105.36 122.12 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.88 14.6 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 tp -70.9 134.69 47.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.488 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.4 p -86.83 162.45 17.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.396 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.16 -27.57 64.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -66.27 -47.79 72.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.299 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.488 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.1 m120 -68.05 -43.74 77.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.72 -32.26 72.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -69.15 -44.15 72.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.404 ' N ' HD13 ' A' ' 29' ' ' LEU . 61.5 m -69.66 -43.49 72.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.596 ' O ' HD13 ' A' ' 35' ' ' LEU . 14.8 mt-30 -66.18 -48.02 72.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.2 mm -65.29 -45.74 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.501 ' OG1' HD22 ' A' ' 29' ' ' LEU . 52.5 m -64.19 -33.38 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.38 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -85.51 -10.34 56.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -73.54 118.93 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.371 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.618 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.1 mt-30 -79.29 162.17 25.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.514 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.91 158.61 42.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 -6.2 17.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.599 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -114.13 -107.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.378 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.599 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -168.68 139.89 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HZ2' HD11 ' A' ' 44' ' ' ILE . 4.5 mtpm? -91.08 126.68 36.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.437 HD12 HD21 ' A' ' 40' ' ' ASN . 1.1 mp -103.54 -86.81 0.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.546 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 60.6 t80 -103.27 156.26 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.589 HD11 ' HZ2' ' A' ' 41' ' ' LYS . 9.3 mt -138.02 120.23 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -113.58 109.22 18.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.424 ' O ' ' HB ' ' A' ' 110' ' ' VAL . 62.9 mt -115.96 114.41 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.1 m -131.3 138.47 49.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 108.295 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -100.57 142.85 31.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -136.88 134.56 36.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -98.19 135.25 40.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 23.1 m170 -88.85 155.62 19.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.647 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -77.01 -6.13 51.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.228 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.38 -4.61 57.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.68 -1.47 78.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -96.41 132.56 26.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.308 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.01 128.37 11.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.556 ' NE2' HG23 ' A' ' 17' ' ' THR . 6.1 t-80 -112.68 152.86 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -130.44 141.12 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.888 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -126.14 141.59 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.616 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.929 HD12 ' OH ' ' A' ' 18' ' ' TYR . 50.3 mt -142.04 139.63 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 tm? -138.66 111.05 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.442 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 1.5 mt -114.97 149.74 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.546 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.88 116.19 13.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.243 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.42 ' CE2' HG21 ' A' ' 37' ' ' THR . 55.8 m-85 -91.48 156.89 17.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -33.37 73.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.51 157.47 19.62 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.542 1.151 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -58.78 119.6 7.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 0.729 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 5.0 t80 -97.93 142.1 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.418 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.46 106.2 18.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.195 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.768 ' SG ' HG21 ' A' ' 91' ' ' ILE . 49.2 t -98.88 67.81 1.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.5 t -96.89 31.79 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -161.39 117.37 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -87.77 37.35 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.379 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -115.2 -20.61 10.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.618 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.4 t80 -76.15 -37.71 57.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CE1' HD21 ' A' ' 16' ' ' LEU . 32.1 m-85 -88.35 12.38 14.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -66.78 110.0 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.506 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.4 mt -110.04 136.91 48.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.437 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 4.0 m -123.67 164.68 21.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.47 ' O ' ' O ' ' A' ' 83' ' ' ARG . 22.7 t -85.17 119.01 72.0 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -8.49 20.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -18.38 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 80' ' ' SER . 12.7 ttt180 -132.97 142.99 49.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.05 55.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.73 142.5 50.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.437 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 26.8 m170 -108.59 147.23 32.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.685 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 20.4 m-85 -126.09 133.84 51.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.35 100.84 43.17 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.553 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.06 160.77 39.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -101.02 120.72 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.768 HG21 ' SG ' ' A' ' 70' ' ' CYS . 1.0 OUTLIER -87.41 128.78 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -135.41 133.34 38.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.04 122.76 7.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.593 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.626 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 23.5 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -38.54 79.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -57.72 -46.63 84.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -71.45 -33.71 69.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.07 -32.95 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.39 -24.59 64.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -74.88 69.21 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -83.0 -172.96 4.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.17 81.92 0.65 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.3 67.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.772 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 1.2 m -140.89 163.58 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.656 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.6 tt -104.86 147.6 27.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.656 ' N ' HD23 ' A' ' 111' ' ' LEU . 10.0 mt-10 -131.74 124.15 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.664 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 14.4 t90 -134.08 153.54 51.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 108.001 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.664 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.73 176.64 3.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.44 1.088 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.36 122.69 38.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.386 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.3 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.503 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 12.1 t80 -78.27 102.72 7.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.31 110.3 10.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.954 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.416 HD11 ' HE1' ' A' ' 7' ' ' PHE . 60.3 mt -103.98 134.56 44.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.96 111.78 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.21 163.65 28.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 64' ' ' PHE . 12.0 ttmt -83.67 -31.93 25.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.8 m-80 -114.45 146.88 40.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 4.1 m-85 -133.14 139.8 47.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.531 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 17.6 m-85 -120.0 121.7 39.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.3 mm? -104.9 133.7 49.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 m -121.84 118.66 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.444 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.524 ' OH ' HD12 ' A' ' 60' ' ' ILE . 20.0 m-85 -107.77 102.96 47.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' C ' ' CG ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.05 129.9 12.73 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.472 1.775 . . . . 0.0 110.943 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' CG ' ' C ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 43.28 56.41 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.6 t -114.29 123.83 50.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -86.89 14.21 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.415 HD21 HD22 ' A' ' 78' ' ' LEU . 19.0 tp -70.99 133.86 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.473 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.2 p -86.95 164.22 16.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.46 -28.31 63.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -48.89 73.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.473 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 6.1 m120 -67.25 -44.21 79.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.49 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.4 -33.4 75.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.671 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.4 tm? -69.34 -43.82 72.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -45.17 80.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.539 ' CD ' HD23 ' A' ' 78' ' ' LEU . 36.6 mt-30 -67.59 -48.59 66.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 7.3 mm -62.42 -45.8 97.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.64 ' OG1' HD22 ' A' ' 29' ' ' LEU . 69.0 m -63.23 -38.53 91.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.43 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -81.1 -9.16 59.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.585 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.61 118.82 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.4 pt20 -81.87 162.58 22.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.61 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.25 156.48 46.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.0 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.61 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -114.12 -107.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.592 ' H ' HG23 ' A' ' 39' ' ' THR . 0.5 OUTLIER -168.59 131.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.57 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 4.0 mtpp -80.41 120.87 25.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.457 ' CD1' ' OD1' ' A' ' 40' ' ' ASN . 1.0 OUTLIER -96.09 -85.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 48.1 t80 -102.64 154.67 18.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.658 HG12 HG23 ' A' ' 62' ' ' ILE . 99.7 mt -144.21 115.46 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.615 ' HE2' HG21 ' A' ' 110' ' ' VAL . 4.2 tttm -127.55 129.2 46.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.963 HG23 HG12 ' A' ' 60' ' ' ILE . 6.9 mt -125.88 116.59 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 39.3 t -122.58 136.37 54.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -100.23 143.18 30.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -138.23 133.45 33.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -98.49 135.23 40.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.426 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 31.7 m170 -88.04 154.33 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -73.97 -6.69 48.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -86.38 -0.85 56.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.42 5.82 84.49 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.442 1.089 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 16.2 pt-20 -96.37 125.92 45.77 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.506 0.768 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.67 8.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.465 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 6.3 t-80 -111.01 154.35 24.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.655 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.797 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -131.84 135.53 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.797 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -116.88 142.94 46.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.559 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.963 HG12 HG23 ' A' ' 46' ' ' ILE . 7.9 mt -140.44 137.39 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.531 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.24 110.15 7.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.658 HG23 HG12 ' A' ' 44' ' ' ILE . 6.3 mt -117.42 154.12 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -129.7 138.99 51.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.486 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 85.4 m-85 -116.74 148.02 41.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -33.52 74.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.19 157.15 20.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.33 109.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 0.728 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.537 ' HB2' HG21 ' A' ' 39' ' ' THR . 5.1 t80 -87.69 136.58 32.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -98.69 111.29 23.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.642 ' SG ' HD13 ' A' ' 91' ' ' ILE . 31.2 t -107.73 70.4 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 108.329 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.443 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.6 OUTLIER -92.48 29.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -161.94 120.12 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.675 ' HG2' HD12 ' A' ' 91' ' ' ILE . 12.6 mt-30 -86.99 44.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.43 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -117.1 -18.24 10.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.364 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.5 t80 -77.28 -40.23 45.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -87.91 13.05 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.637 1.211 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.43 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.1 m-20 -66.64 110.43 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.539 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -109.28 136.9 47.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.478 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.1 m -125.01 164.83 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 83' ' ' ARG . 42.7 t -85.08 117.68 69.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.95 17.44 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.24 -20.73 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 6.8 ttm180 -133.55 144.19 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -76.27 57.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.37 137.89 51.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.478 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 18.2 m170 -106.14 146.23 30.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 17.0 m-85 -126.19 130.35 50.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.9 101.34 43.91 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.486 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.98 159.48 41.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.803 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -87.17 122.58 31.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.675 HD12 ' HG2' ' A' ' 73' ' ' GLN . 62.0 mt -86.86 126.44 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -135.53 132.8 37.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.213 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.58 113.47 4.72 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.517 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 21.0 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -44.1 94.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.3 t -57.88 -47.33 83.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -68.03 -35.35 78.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.62 -35.56 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -72.11 -23.3 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -74.89 67.39 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.01 169.91 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.233 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 110' ' ' VAL . . . 147.37 96.68 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.7 OUTLIER 62.23 34.59 15.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.736 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.615 HG21 ' HE2' ' A' ' 45' ' ' LYS . 1.4 m -122.35 166.46 17.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.898 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.7 tt -105.14 146.7 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.898 ' N ' HD23 ' A' ' 111' ' ' LEU . 5.9 mt-10 -128.13 131.13 48.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.676 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 11.9 t90 -141.4 153.81 45.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.676 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.12 175.69 2.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.01 125.68 44.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 0.719 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.517 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 14.0 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 10.8 t80 -74.13 102.71 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.23 110.49 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.469 HD11 ' CE1' ' A' ' 7' ' ' PHE . 36.1 mt -102.54 134.47 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.07 111.66 9.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.418 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . . . -162.41 163.47 27.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.61 -32.57 25.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.693 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.8 m-80 -114.09 145.74 41.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -133.81 141.3 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 111.031 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 30.9 m-85 -120.14 121.68 39.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.2 mm? -104.17 134.19 47.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -121.65 118.45 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.624 ' CE2' HD13 ' A' ' 78' ' ' LEU . 17.6 m-85 -108.12 101.72 42.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.09 137.57 21.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.586 1.835 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.9 OUTLIER 39.2 47.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.498 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.3 t -105.74 120.62 42.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 108.289 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -86.81 14.29 7.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.597 1.186 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.402 HD21 HD22 ' A' ' 78' ' ' LEU . 20.7 tp -70.27 136.32 49.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.501 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.3 p -86.57 164.54 16.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.371 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -71.11 -28.64 64.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.17 -49.13 70.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.501 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 7.7 m120 -65.7 -43.99 87.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.493 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.75 -32.45 72.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -69.24 -45.03 70.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.433 ' N ' HD13 ' A' ' 29' ' ' LEU . 58.0 m -68.66 -43.11 76.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.563 ' O ' HD13 ' A' ' 35' ' ' LEU . 28.6 mt-30 -66.55 -48.12 70.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 28' ' ' ALA . 10.2 mm -65.12 -46.14 92.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.546 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.9 m -62.65 -35.2 78.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -83.59 -9.69 58.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.33 118.78 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.621 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.8 pt20 -80.3 161.98 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.573 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.42 155.24 45.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 17.9 Cg_endo -75.06 -6.36 17.93 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.515 1.798 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.658 HG21 ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -111.25 -108.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.597 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.6 OUTLIER -169.91 134.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 9.4 mttp -84.83 116.7 23.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.235 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.468 HD23 HE22 ' A' ' 63' ' ' GLN . 0.7 OUTLIER -88.36 -63.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.527 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 62.1 t80 -137.36 160.88 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.424 HG22 HG13 ' A' ' 46' ' ' ILE . 25.4 mt -136.27 132.16 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.546 ' HE2' HG21 ' A' ' 110' ' ' VAL . 14.1 tptm -123.12 106.17 10.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 41.0 mt -112.32 116.19 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.6 t -127.14 140.07 52.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.499 ' HA ' HD22 ' A' ' 58' ' ' LEU . 32.8 ttt180 -96.59 142.51 28.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.222 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.723 ' O ' HD22 ' A' ' 50' ' ' LEU . 21.0 tt0 -133.52 140.47 47.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.737 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.8 mm? -126.69 135.55 51.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.439 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 22.7 m170 -95.11 155.29 16.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.118 . . . . 0.0 109.591 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -77.11 -6.59 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.23 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.27 -3.28 58.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.35 4.98 73.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 19.0 pt-20 -96.29 120.52 62.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 110.291 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.737 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.0 149.88 37.32 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 7.6 t-80 -141.15 152.64 44.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.567 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.824 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -133.13 136.94 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.824 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -117.67 141.25 48.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.658 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.49 HD12 ' OH ' ' A' ' 18' ' ' TYR . 6.9 mt -141.88 134.73 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.445 1.091 . . . . 0.0 109.381 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.583 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -138.46 110.27 7.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.583 ' N ' HD22 ' A' ' 61' ' ' LEU . 1.6 mp -116.11 152.28 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.576 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.95 115.41 12.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 64.1 m-85 -91.35 155.51 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.33 -33.81 75.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.02 156.03 18.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.418 ' CD ' ' HA ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -59.35 111.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 0.803 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.658 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.6 t80 -89.74 140.13 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.67 116.19 30.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.58 ' SG ' HD13 ' A' ' 91' ' ' ILE . 15.4 t -113.14 69.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.2 OUTLIER -91.45 22.07 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 110.392 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -154.27 120.3 5.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.794 ' HG2' HD12 ' A' ' 91' ' ' ILE . 26.8 mt-30 -86.55 44.02 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -118.39 -16.68 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.621 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.7 t80 -77.45 -40.32 43.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -88.15 12.34 13.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.423 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 56.4 m-20 -69.95 106.49 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.624 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -102.43 136.36 42.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.542 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.4 m -123.61 163.63 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.9 t -86.0 118.34 70.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -113.2 -20.66 11.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 21.3 tpp85 -133.52 144.51 49.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 0.0 110.324 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.44 56.62 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.96 136.1 49.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.542 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 25.4 m170 -108.68 147.1 32.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -126.34 133.86 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.88 101.28 49.25 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.512 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.93 160.28 40.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.38 122.9 31.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.794 HD12 ' HG2' ' A' ' 73' ' ' GLN . 31.4 mt -87.46 128.39 40.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -135.51 132.94 37.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.92 114.09 4.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.693 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.465 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.6 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -64.16 -44.63 91.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.99 -48.28 80.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.947 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -66.92 -34.99 78.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.653 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 24.6 mt -64.61 -34.86 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -33.9 74.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -75.06 75.05 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -83.06 178.27 8.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.4 ' C ' HG13 ' A' ' 110' ' ' VAL . . . 146.52 97.18 0.2 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.634 1.208 . . . . 0.0 111.018 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.38 34.28 18.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.546 HG21 ' HE2' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -121.81 164.58 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.3 tt -104.91 145.52 30.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.535 ' N ' HD23 ' A' ' 111' ' ' LEU . 33.4 mt-10 -130.03 122.36 28.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.556 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.4 t90 -130.48 150.85 51.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.556 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.07 -177.81 18.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.16 116.78 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.414 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.653 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 3.9 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.457 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 27.4 t80 -77.57 101.83 6.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.446 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.1 p -133.6 116.15 15.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.2 mt -109.13 133.79 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.23 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -134.98 111.19 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.43 163.65 27.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 109.372 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -85.69 -25.3 26.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.847 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 17.0 m-80 -120.5 139.74 52.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -133.05 143.5 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 23.6 m-85 -119.92 122.06 40.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.538 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.1 mm? -104.55 130.43 52.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.618 HG22 ' NE2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -119.01 130.39 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.543 ' CE2' HD13 ' A' ' 78' ' ' LEU . 24.9 m-85 -117.22 103.02 52.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 133.76 17.0 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 56' ' ' PRO . 38.5 tttt 39.48 52.98 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.396 1.06 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -112.4 121.88 46.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 108.327 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.99 15.16 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 tp -69.37 135.87 50.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.665 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.7 p -86.79 162.16 17.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HB3' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.59 -28.69 65.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.72 -48.08 75.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.665 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 1.9 m120 -68.19 -44.66 75.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' HA ' HD22 ' A' ' 78' ' ' LEU . . . -64.93 -37.24 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.709 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.22 -38.19 78.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -67.4 -45.81 75.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' ' 35' ' ' LEU . 2.5 mt-30 -70.42 -45.97 64.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.6 mm -61.62 -44.69 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.709 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.3 m -65.31 -39.12 92.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.46 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -81.1 -8.02 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -73.86 118.08 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.607 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 11.3 pt20 -77.93 162.55 26.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.699 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -147.36 160.36 39.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.97 -24.76 12.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.592 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.47 -101.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.592 ' H ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -171.45 143.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.699 ' HG3' HG21 ' A' ' 37' ' ' THR . 3.6 mtpm? -91.11 126.98 36.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 tp -103.87 -85.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -103.42 158.69 16.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.76 HG23 HG12 ' A' ' 62' ' ' ILE . 5.0 mt -141.87 130.2 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -126.93 111.77 14.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 25' ' ' LYS . 39.1 mt -121.04 115.01 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 t -134.27 138.55 45.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.238 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -97.05 143.42 27.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 57' ' ' HIS . 11.4 tp10 -140.23 133.9 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.58 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.5 mm? -97.22 134.93 39.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -88.63 156.33 19.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -75.25 -6.8 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -84.64 0.03 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 2.09 89.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.46 125.06 48.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.98 123.86 8.21 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.618 ' NE2' HG22 ' A' ' 17' ' ' THR . 4.8 t-80 -118.48 156.92 28.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.466 HD21 HG23 ' A' ' 46' ' ' ILE . 4.4 tt -132.28 140.25 48.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.429 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -112.81 141.78 46.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.538 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.468 HD12 ' OH ' ' A' ' 18' ' ' TYR . 8.7 mt -142.19 135.59 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 tm? -138.25 110.4 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.76 HG12 HG23 ' A' ' 44' ' ' ILE . 3.7 mt -116.96 149.22 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -135.71 118.64 16.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -91.49 158.26 16.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.25 -34.02 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.54 162.9 22.15 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -58.78 111.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.549 ' HB2' HG21 ' A' ' 39' ' ' THR . 1.9 t80 -88.12 141.25 28.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.35 111.53 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.505 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.1 t -112.91 70.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.248 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.446 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.7 t -94.7 31.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -157.69 125.39 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.553 ' HA ' HD11 ' A' ' 91' ' ' ILE . 19.9 mt-30 -91.48 36.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.415 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 8.6 mtt180 -116.67 -16.34 10.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 9.9 t80 -76.55 -39.41 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CE1' HD21 ' A' ' 16' ' ' LEU . 20.9 m-85 -87.83 12.71 12.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.18 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.415 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.7 m-20 -66.75 106.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -106.71 136.96 45.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.49 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.7 m -122.47 165.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 83' ' ' ARG . 40.1 t -84.79 118.87 71.95 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 -4.49 15.46 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.0 p -113.2 -20.98 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 80' ' ' SER . 5.9 ttm180 -133.77 145.65 50.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.34 54.93 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 109.966 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.24 132.42 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.49 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 21.9 m170 -102.17 146.04 28.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.576 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -126.29 137.09 53.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 100.67 53.81 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.609 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.534 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.07 160.75 39.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.33 125.27 34.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' A' ' 73' ' ' GLN . 72.3 mt -88.4 127.52 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -135.42 132.94 38.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.0 113.84 4.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.847 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.447 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.4 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -42.39 89.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -49.45 76.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.18 -35.21 80.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.55 HD11 ' CE2' ' A' ' 116' ' ' PHE . 74.9 mt -68.04 -35.66 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -23.68 61.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -74.91 67.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -83.02 167.51 17.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 144.16 74.57 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 2.1 m-20 77.49 62.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.777 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -140.82 163.39 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.543 HD13 ' CB ' ' A' ' 29' ' ' LEU . 3.7 tt -105.02 114.76 29.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -108.65 135.64 49.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 5.5 t90 -138.49 146.18 41.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.167 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.636 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.54 -176.84 18.71 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -123.98 128.7 49.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.39 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.55 ' CE2' HD11 ' A' ' 104' ' ' ILE . 5.0 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.518 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 11.1 t80 -79.21 102.86 8.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.21 110.93 10.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.948 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mt -106.52 134.16 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.45 110.4 9.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.37 163.82 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -86.69 -24.19 25.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.806 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.5 m-80 -114.72 137.03 52.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.062 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.7 m-85 -133.63 136.1 44.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.575 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 51.5 m-85 -120.3 127.7 52.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -105.36 133.08 50.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.822 HG23 ' NE2' ' A' ' 57' ' ' HIS . 91.5 m -120.75 117.93 28.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.366 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.643 ' CE2' HD13 ' A' ' 78' ' ' LEU . 13.4 m-85 -109.78 102.97 52.14 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.96 136.44 20.49 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.54 1.811 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.6 tttp 39.73 48.62 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.195 . . . . 0.0 109.376 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.2 t -106.4 118.61 37.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 108.312 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.11 15.29 6.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 HD22 ' A' ' 78' ' ' LEU . 22.5 tp -65.85 137.2 57.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.234 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.71 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 9.8 p -83.83 163.94 19.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.58 ' CG ' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.82 -30.13 66.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -66.52 -42.46 87.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 0.0 110.321 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.71 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -71.54 -42.89 67.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.542 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.78 -40.75 79.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.637 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.5 tm? -69.2 -41.69 76.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 17.9 t -67.43 -45.88 74.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.639 ' O ' HD13 ' A' ' 35' ' ' LEU . 34.6 mt-30 -66.76 -48.27 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.447 HG13 HD13 ' A' ' 60' ' ' ILE . 13.2 mm -62.99 -45.86 97.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.637 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.9 m -63.77 -38.04 89.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.404 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.4 m120 -81.12 -10.02 59.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.62 118.95 18.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.636 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -81.46 163.02 23.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.584 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -146.67 157.08 48.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.48 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.03 -2.7 12.88 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.454 1.765 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.592 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -116.64 -107.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.592 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.6 t30 -169.52 139.77 2.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.469 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 9.3 mttp -90.92 152.34 20.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 65' ' ' GLU . 6.0 mp -130.77 -85.46 0.52 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 41.6 t80 -102.38 150.73 23.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.647 HD12 ' CE3' ' A' ' 113' ' ' TRP . 81.1 mt -140.06 116.75 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -116.95 120.74 39.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 29' ' ' LEU . 54.2 mt -119.61 116.26 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.34 139.1 53.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 108.253 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HA ' HD22 ' A' ' 58' ' ' LEU . 1.5 ttt180 -96.88 144.09 27.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -134.31 134.24 41.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -96.61 135.19 38.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -91.65 155.75 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 109.663 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -73.47 -6.81 48.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -88.35 -0.72 57.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.96 6.92 86.23 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 20.0 pt-20 -96.11 129.94 32.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.36 0.683 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.11 123.47 7.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.822 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.6 t-80 -111.76 150.44 30.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -126.46 141.59 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.894 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -122.32 146.26 47.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.531 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.616 HD12 ' OH ' ' A' ' 18' ' ' TYR . 41.3 mt -140.73 140.39 33.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.575 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.57 110.76 7.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.491 HD11 ' CG2' ' A' ' 60' ' ' ILE . 2.2 mt -120.37 153.23 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.71 125.87 26.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.245 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -101.9 157.76 16.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.528 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 1.1 tm-20 -60.67 -34.06 73.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.69 157.86 21.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -59.25 117.1 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 0.816 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.434 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 4.4 t80 -92.27 142.54 27.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.47 106.54 18.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.921 ' SG ' HD13 ' A' ' 91' ' ' ILE . 7.3 t -101.68 68.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.332 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.4 t -94.87 30.52 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -163.49 116.12 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.563 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -84.67 44.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 2.4 mmm180 -117.85 -19.83 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.636 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.6 t80 -77.03 -39.48 49.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.512 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.2 m-85 -88.26 12.47 13.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.42 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.1 m-20 -67.76 106.14 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.643 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -103.58 136.09 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.566 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.3 m -125.59 163.62 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 83' ' ' ARG . 22.8 t -86.12 118.36 70.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.446 1.761 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.84 -20.7 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 16.8 ttt180 -133.6 144.26 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.42 57.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.96 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.74 135.74 48.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.566 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 18.9 m170 -108.75 147.0 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -126.42 133.01 51.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -107.97 102.02 43.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.444 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.07 157.42 42.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.386 1.729 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.92 123.43 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.921 HD13 ' SG ' ' A' ' 70' ' ' CYS . 11.8 mt -86.87 128.27 39.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -135.19 132.98 38.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.56 123.12 7.83 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.806 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.538 0.787 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.518 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 18.0 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -56.7 -40.26 75.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -45.44 85.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -71.33 -33.82 69.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 19.3 mt -59.98 -32.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.53 -29.87 70.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -74.16 71.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.06 -174.63 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.28 83.94 0.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.65 76.11 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 0.768 . . . . 0.0 109.249 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -140.9 163.4 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.45 ' N ' HG23 ' A' ' 110' ' ' VAL . 5.9 tt -104.77 128.45 52.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.42 ' N ' HD23 ' A' ' 111' ' ' LEU . 3.5 tt0 -106.77 125.04 50.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.647 ' CE3' HD12 ' A' ' 44' ' ' ILE . 11.0 t90 -141.23 138.14 33.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.69 176.37 29.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -125.39 127.44 46.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 7.3 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 16.1 t80 -74.01 102.59 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.404 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.8 OUTLIER -132.62 116.42 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.2 mt -107.18 135.14 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.84 110.97 9.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.53 27.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 64' ' ' PHE . 19.6 ttpt -85.78 -31.64 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.38 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.732 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.8 m-80 -114.63 141.85 47.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.4 m-85 -132.96 142.33 48.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.573 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 20.4 m-85 -120.08 121.9 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.629 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.4 mm? -104.77 136.32 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.534 HG23 ' NE2' ' A' ' 57' ' ' HIS . 16.8 m -122.55 120.04 32.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.857 ' OH ' HD12 ' A' ' 60' ' ' ILE . 21.1 m-85 -106.85 102.2 41.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.97 132.61 15.67 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.452 1.764 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 20' ' ' LYS . 13.2 pttt 37.35 52.16 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.7 t -106.92 125.37 50.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.81 12.93 9.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -71.16 135.51 47.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.708 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.8 p -86.92 161.2 18.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.143 . . . . 0.0 110.454 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB3' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.17 -28.75 65.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -47.74 72.74 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.708 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.6 m120 -66.32 -43.92 84.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -68.85 -34.03 74.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 1.095 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.571 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.26 -43.02 74.77 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.418 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -69.03 -44.93 71.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.11 . . . . 0.0 110.093 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.573 ' CD ' HD23 ' A' ' 78' ' ' LEU . 57.4 mt-30 -66.05 -48.83 69.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.463 HG21 HD11 ' A' ' 62' ' ' ILE . 3.6 mm -63.46 -45.68 97.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.571 ' OG1' HD22 ' A' ' 29' ' ' LEU . 52.3 m -65.05 -35.35 80.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.3 m120 -86.78 -4.53 59.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 75' ' ' PHE . 1.8 tp -74.91 141.06 44.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.7 OUTLIER -90.79 161.41 15.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.471 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -149.58 150.63 31.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.06 -3.76 14.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.529 1.805 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.643 HG21 ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -118.05 -107.76 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.489 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.587 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t-20 -168.2 134.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.396 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HG3' HG21 ' A' ' 37' ' ' THR . 7.3 mtpp -84.58 118.44 24.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -90.63 -59.96 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 62' ' ' ILE . 66.1 t80 -137.44 157.69 46.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.03 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mt -137.96 128.37 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -123.01 123.95 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.58 HG23 HD21 ' A' ' 58' ' ' LEU . 18.3 mt -128.74 116.95 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.05 137.7 49.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.448 ' CD ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -96.82 143.77 27.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 57' ' ' HIS . 7.4 tp10 -143.07 133.88 25.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -97.7 135.13 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -87.75 156.1 19.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.74 -6.83 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.79 0.22 53.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.86 4.08 88.92 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -96.35 130.15 31.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.452 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.7 Cg_endo -74.92 123.58 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.534 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.7 t-80 -117.18 154.42 31.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.604 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.58 HD21 HG23 ' A' ' 46' ' ' ILE . 4.1 tt -136.57 142.11 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.446 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -117.53 146.01 43.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.645 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.857 HD12 ' OH ' ' A' ' 18' ' ' TYR . 19.0 mt -142.06 137.19 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.573 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -138.49 110.19 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.532 ' N ' HD22 ' A' ' 61' ' ' LEU . 5.3 mt -117.63 150.37 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.578 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.07 117.39 14.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.384 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.463 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 51.8 m-85 -91.14 155.79 18.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.723 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.29 -33.62 73.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.344 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.21 162.84 18.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -59.21 112.44 1.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 0.792 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.643 ' HB2' HG21 ' A' ' 39' ' ' THR . 1.2 t80 -90.07 135.54 33.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.494 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -96.88 120.05 36.49 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.543 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.2 t -119.36 69.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 108.361 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.404 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.5 t -93.93 30.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -159.22 127.93 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.699 ' HA ' HD11 ' A' ' 91' ' ' ILE . 7.3 mt-30 -88.59 31.94 0.81 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.474 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 4.9 mmt85 -114.32 -9.6 12.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.0 t80 -77.42 -39.4 47.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.629 ' CE1' HD21 ' A' ' 16' ' ' LEU . 36.0 m-85 -91.7 14.5 15.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.474 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 60.3 m-20 -65.66 106.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.573 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.1 mt -111.13 137.73 48.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.501 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 3.7 m -122.57 164.2 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 14.8 t -85.55 118.42 70.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.26 12.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.458 1.768 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.8 p -114.45 -20.61 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' SER . 1.4 ttt180 -133.53 145.38 50.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.69 54.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.72 133.82 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.501 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 19.2 m170 -101.37 146.67 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.5 m-85 -126.29 137.75 53.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -121.83 100.03 43.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.57 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.06 166.19 29.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.969 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.83 127.45 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 73' ' ' GLN . 14.2 mt -88.29 130.81 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.206 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -135.28 132.69 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.57 113.99 4.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.16 . . . . 0.0 111.044 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.732 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.464 0.744 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.431 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 13.6 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -58.65 -45.87 88.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -50.35 73.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.507 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 15.7 t80 -62.74 -33.38 75.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.561 HD11 ' CE2' ' A' ' 116' ' ' PHE . 45.2 mt -67.38 -36.53 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.67 -20.55 64.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -74.9 68.58 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.63 163.96 21.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 136.97 98.65 0.51 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 60.4 m-20 63.14 49.77 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.529 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -136.07 166.57 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -129.87 114.8 16.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.582 ' N ' HD23 ' A' ' 111' ' ' LEU . 2.1 pm0 -115.69 146.03 42.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.217 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 23.4 t90 -129.72 154.26 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.606 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 70.4 -172.84 41.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -124.16 122.75 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 110.358 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.578 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 19.9 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.468 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 16.6 t80 -78.41 103.71 8.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.54 110.97 10.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.5 mt -106.32 134.23 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.49 109.69 8.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.29 164.1 27.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -24.96 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.209 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.976 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.6 m-80 -113.87 138.79 49.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -133.75 135.51 43.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.596 ' CE1' ' HB2' ' A' ' 94' ' ' ALA . 35.5 m-85 -120.69 122.71 41.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.68 138.33 40.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.485 HG23 ' NE2' ' A' ' 57' ' ' HIS . 15.6 m -125.95 119.78 28.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.566 ' OH ' HD12 ' A' ' 60' ' ' ILE . 12.4 m-85 -109.89 102.32 50.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 137.54 21.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER 38.32 46.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.3 t -105.52 120.96 42.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.409 1.068 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.99 14.96 6.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 tp -70.29 135.51 48.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.673 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -86.49 162.61 17.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.67 -28.93 65.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -47.95 75.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.673 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.1 m120 -67.77 -44.09 78.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.521 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -65.84 -38.84 89.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.745 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.5 tm? -69.24 -37.16 77.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.43 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 78.7 p -67.88 -45.84 73.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.583 ' O ' HD13 ' A' ' 35' ' ' LEU . 41.0 mt-30 -71.16 -46.54 61.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 10.0 mm -61.75 -46.79 95.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.745 ' HG1' HD22 ' A' ' 29' ' ' LEU . 69.2 m -63.76 -35.27 80.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 30' ' ' SER . 61.1 m-20 -83.07 -10.4 58.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.63 118.78 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.661 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 4.1 mt-30 -82.07 162.24 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.713 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.44 157.15 45.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.07 -2.98 13.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.713 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.2 OUTLIER -113.49 -108.74 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.633 ' H ' HG23 ' A' ' 39' ' ' THR . 0.8 OUTLIER -170.07 133.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 6.7 mtpp -87.52 126.95 35.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.514 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.7 mp -103.27 -87.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.482 ' HB2' ' CA ' ' A' ' 116' ' ' PHE . 57.2 t80 -102.71 156.0 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.632 HD12 ' CE3' ' A' ' 113' ' ' TRP . 82.9 mt -139.42 115.17 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.739 ' NZ ' HG21 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -111.35 126.77 55.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.563 HG21 ' HB2' ' A' ' 25' ' ' LYS . 54.5 mt -129.26 115.46 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.9 t -123.82 136.91 54.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 108.327 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -101.48 142.65 32.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' A' ' 50' ' ' LEU . 8.6 tp10 -145.12 134.37 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.858 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.2 mm? -98.57 134.76 41.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 38.7 m170 -80.83 153.58 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.05 -6.96 50.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.612 1.195 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -84.69 -0.49 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.62 3.07 84.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 20.8 pt-20 -96.63 132.78 25.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.858 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 131.94 14.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.485 ' NE2' HG23 ' A' ' 17' ' ' THR . 6.3 t-80 -120.71 153.21 37.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.637 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.856 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -131.77 138.81 48.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.856 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -121.01 135.46 55.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.617 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.566 HD12 ' OH ' ' A' ' 18' ' ' TYR . 15.3 mt -136.47 137.06 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.57 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.4 tm? -138.84 110.6 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.535 HG23 HG12 ' A' ' 44' ' ' ILE . 3.4 mt -114.99 151.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.574 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.78 129.62 32.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -103.94 156.51 17.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -61.48 -33.85 74.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.55 158.54 19.92 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -59.9 118.89 6.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.594 ' HB2' HG21 ' A' ' 39' ' ' THR . 8.6 t80 -98.71 144.72 27.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.88 117.24 34.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.687 ' SG ' HD13 ' A' ' 91' ' ' ILE . 5.9 t -111.53 70.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.458 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.6 OUTLIER -94.26 30.2 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -163.02 117.32 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.461 HE22 ' CD2' ' A' ' 88' ' ' HIS . 0.0 OUTLIER -87.05 44.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.405 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 3.8 mtp85 -118.33 -17.32 9.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.661 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 24.5 t80 -77.05 -39.15 51.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.586 ' O ' HD12 ' A' ' 78' ' ' LEU . 16.3 m-85 -87.85 12.8 12.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.405 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 67.0 m-20 -66.93 105.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -107.04 139.5 41.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.41 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.3 m -123.25 163.92 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.4 t -85.78 118.83 71.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.415 1.745 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.9 p -111.59 -20.61 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.43 143.01 48.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.03 56.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.0 143.25 50.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.41 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 24.2 m170 -108.22 147.92 30.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.534 1.146 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 12.1 m-85 -126.17 131.55 52.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.461 ' CD2' HE22 ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.62 101.68 44.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.0 151.41 39.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.813 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -87.66 125.53 34.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.687 HD13 ' SG ' ' A' ' 70' ' ' CYS . 8.1 mt -89.44 129.26 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.3 133.12 38.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.51 122.56 6.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.976 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.578 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 5.7 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -55.16 -40.82 71.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.82 85.21 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.957 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -71.2 -32.96 69.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 101' ' ' LYS . 90.7 mt -59.75 -34.36 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -32.27 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -72.09 66.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.11 -177.82 6.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.37 91.23 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 60.41 35.27 20.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.739 HG21 ' NZ ' ' A' ' 45' ' ' LYS . 1.3 m -112.43 164.41 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 112' ' ' GLU . 9.9 tt -105.41 148.98 26.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.638 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -135.29 131.67 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.632 ' CE3' HD12 ' A' ' 44' ' ' ILE . 5.2 t90 -141.23 154.53 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 108.028 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.583 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 64.64 177.71 5.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.7 m -126.44 130.1 50.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 0.818 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.578 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 4.9 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.545 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 9.8 t80 -78.75 102.42 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -132.7 113.67 13.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' A' ' 7' ' ' PHE . 27.9 mt -108.53 133.8 52.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 111.18 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.24 28.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -84.31 -26.82 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.891 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 22.7 m-80 -118.37 142.18 47.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.52 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.9 m-85 -131.79 142.46 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.731 ' CE1' HD23 ' A' ' 61' ' ' LEU . 31.8 m-85 -120.11 123.66 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.2 mm? -104.94 132.94 50.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.787 HG23 ' NE2' ' A' ' 57' ' ' HIS . 99.3 m -125.14 122.27 36.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.439 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.664 ' HE2' HD13 ' A' ' 78' ' ' LEU . 11.9 m-85 -108.17 102.81 47.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 133.12 16.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' CG ' ' HD2' ' A' ' 56' ' ' PRO . 6.3 tttp 39.62 51.46 2.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -111.79 125.53 54.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.241 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.07 15.29 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.46 135.52 48.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.415 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.5 p -86.96 164.88 16.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.56 -28.89 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.69 -48.25 72.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.428 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 8.2 m120 -66.35 -44.81 82.2 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.506 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.81 -34.8 77.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.62 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.1 tm? -69.1 -43.16 75.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.412 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 3.4 t -67.84 -45.73 73.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.951 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.492 ' O ' HD13 ' A' ' 35' ' ' LEU . 6.2 mt-30 -66.74 -46.8 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.2 mm -64.65 -45.95 93.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.62 ' HG1' HD22 ' A' ' 29' ' ' LEU . 54.0 m -63.22 -39.32 94.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.2 m120 -79.78 -9.29 59.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.44 117.96 16.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.644 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -79.19 161.06 26.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.684 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.79 154.96 44.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.465 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.478 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.06 -3.72 14.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.544 1.812 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.684 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -111.37 -108.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.3 OUTLIER -169.59 132.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.529 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.2 mtpp -90.18 124.44 34.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.672 HD11 ' N ' ' A' ' 65' ' ' GLU . 4.4 mp -104.63 -84.46 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' A' ' 116' ' ' PHE . 53.3 t80 -102.75 152.1 21.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 62' ' ' ILE . 67.8 mt -141.22 116.71 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -113.0 128.33 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.23 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 29' ' ' LEU . 62.4 mt -128.67 116.29 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -127.5 135.04 49.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.17 . . . . 0.0 108.287 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -96.52 143.7 27.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.387 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 57' ' ' HIS . 8.5 tp10 -141.9 133.46 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -97.87 135.03 40.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.414 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 52.3 m170 -86.44 153.64 21.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.42 -6.74 48.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -86.15 0.33 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.42 4.87 87.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 12.8 pt-20 -96.26 126.94 42.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.556 0.798 . . . . 0.0 110.237 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.07 123.63 7.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.787 ' NE2' HG23 ' A' ' 17' ' ' THR . 2.7 t-80 -119.89 155.52 32.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.521 HD21 HG23 ' A' ' 46' ' ' ILE . 4.2 tt -136.23 141.8 43.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.428 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -116.25 146.56 42.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.582 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.651 HD12 ' OH ' ' A' ' 18' ' ' TYR . 8.3 mt -142.04 139.97 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.731 HD23 ' CE1' ' A' ' 15' ' ' PHE . 1.2 tm? -138.37 110.55 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.645 HG23 HG12 ' A' ' 44' ' ' ILE . 2.6 mt -119.63 154.21 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -133.31 142.08 48.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.506 ' CD1' HG23 ' A' ' 39' ' ' THR . 88.0 m-85 -118.26 156.24 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.672 ' N ' HD11 ' A' ' 42' ' ' LEU . 1.4 tm-20 -66.21 -33.25 75.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.03 154.01 17.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.162 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -58.7 112.21 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.794 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.52 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 5.1 t80 -88.26 142.25 27.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.424 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -104.06 109.34 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.601 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.4 t -108.2 70.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.356 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 2.3 t -96.72 32.19 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -168.38 113.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -76.42 54.81 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.404 ' HA ' ' OD2' ' A' ' 77' ' ' ASP . 11.0 mmt180 -119.76 -24.52 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.623 1.202 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.644 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.6 t80 -76.5 -39.49 52.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -87.93 13.14 11.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 70.0 m-20 -66.6 107.46 2.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.664 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -108.81 136.18 48.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.545 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.5 m -128.45 164.77 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 83' ' ' ARG . 44.3 t -85.14 118.92 71.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.5 20.14 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -18.32 13.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 80' ' ' SER . 4.6 ttp180 -132.91 143.44 49.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.9 t -77.37 55.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.26 136.76 51.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.545 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 17.7 m170 -108.45 143.33 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -126.53 133.94 51.0 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.4 ' ND1' ' C ' ' A' ' 88' ' ' HIS . 0.2 OUTLIER -113.66 101.61 53.93 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.599 1.187 . . . . 0.0 109.585 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.04 161.93 37.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -87.12 124.99 33.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.601 HD13 ' SG ' ' A' ' 70' ' ' CYS . 10.4 mt -92.29 130.92 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.8 mm-40 -135.11 133.22 39.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.74 114.3 4.51 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.891 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.58 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 19.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -61.26 -42.51 98.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -44.24 84.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.429 1.081 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.474 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 43.4 t80 -71.18 -33.82 70.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.417 ' CD1' ' CD1' ' A' ' 116' ' ' PHE . 71.5 mt -65.78 -40.02 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -19.68 65.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -74.88 67.03 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.84 173.05 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 127.98 98.56 0.97 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.8 OUTLIER 62.53 45.57 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.458 HG21 ' CE ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -132.71 161.85 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.576 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.6 tt -104.88 126.56 52.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.576 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.3 mp0 -116.87 126.19 52.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.426 ' CE3' HD12 ' A' ' 44' ' ' ILE . 11.9 t90 -133.87 137.17 44.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.12 -176.83 46.4 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -125.29 137.38 54.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 0.735 . . . . 0.0 110.424 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.58 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 27.4 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.307 -0.256 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 9.9 t80 -74.27 102.39 4.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.409 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -132.73 115.32 15.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.448 HD11 ' CE1' ' A' ' 7' ' ' PHE . 22.0 mt -107.37 133.6 51.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.78 111.81 10.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.19 163.5 28.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -33.98 26.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.905 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.0 m-80 -114.49 144.91 42.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 9.1 m-85 -132.16 141.68 49.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.559 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 22.5 m-85 -118.33 121.12 39.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.508 HD22 ' N ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -104.63 130.05 52.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 m -118.8 127.05 53.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.864 ' OH ' HD12 ' A' ' 60' ' ' ILE . 2.7 m-85 -117.39 103.14 51.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.512 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.93 135.33 19.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 37.77 49.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.4 t -103.32 122.73 45.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 108.285 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.77 13.62 8.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -71.04 135.01 47.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.63 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.2 p -86.49 156.38 20.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.482 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.02 -29.13 70.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -47.77 74.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.63 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.2 m120 -67.68 -43.85 79.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.12 -37.23 83.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 1.061 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.632 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.4 tm? -69.04 -41.1 78.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 1.1 p -68.55 -45.86 71.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.527 ' O ' HD13 ' A' ' 35' ' ' LEU . 8.2 mt-30 -67.74 -46.56 71.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm -63.84 -46.18 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.632 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.4 m -63.78 -38.39 90.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.6 m120 -80.99 -9.04 59.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.7 118.64 17.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.634 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 7.9 tt0 -80.18 162.53 24.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.564 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -147.15 157.4 46.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.393 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.755 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.61 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -115.66 -107.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.61 ' H ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -168.43 137.12 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HG3' HG21 ' A' ' 37' ' ' THR . 7.4 mtpp -90.27 121.2 32.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.38 -86.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' C ' HG13 ' A' ' 44' ' ' ILE . 52.2 t80 -103.42 157.69 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.401 HG13 ' C ' ' A' ' 43' ' ' PHE . 75.3 mt -142.16 116.58 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HE2' HG21 ' A' ' 110' ' ' VAL . 3.0 tptt -111.85 124.37 52.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.473 HG23 HG12 ' A' ' 60' ' ' ILE . 39.4 mt -128.78 115.92 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -127.43 137.95 52.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 108.297 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.577 ' HD2' HD23 ' A' ' 58' ' ' LEU . 3.1 ttt-85 -99.96 140.8 33.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 50' ' ' LEU . 11.6 tp10 -149.43 133.53 17.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 9.8 mp -98.97 135.42 40.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.543 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 58.5 m170 -80.74 156.06 26.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.5 -6.59 31.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -82.33 0.87 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.08 2.22 90.59 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.402 1.064 . . . . 0.0 110.987 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 11.4 pt-20 -96.37 134.14 23.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.437 0.727 . . . . 0.0 110.361 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.0 123.46 7.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.419 1.747 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.543 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 5.3 t-80 -111.74 154.93 24.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.638 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.89 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -133.24 141.37 48.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.89 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -121.31 141.56 50.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.555 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.864 HD12 ' OH ' ' A' ' 18' ' ' TYR . 10.7 mt -142.21 136.77 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.63 109.98 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.502 ' N ' HD22 ' A' ' 61' ' ' LEU . 4.3 mt -115.7 150.62 17.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.215 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.55 ' HG2' ' CD1' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.67 117.19 14.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -90.97 156.18 18.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.94 74.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.75 157.45 19.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -58.93 114.24 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.577 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.6 t80 -92.34 141.21 28.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.434 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -101.89 107.9 19.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.1 t -104.98 70.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.365 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.409 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.3 t -93.9 30.38 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.422 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -164.29 118.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.893 ' HG2' HD12 ' A' ' 91' ' ' ILE . 27.1 mt-30 -84.58 46.28 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 34.7 mtt180 -117.67 -20.35 8.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.634 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.1 t80 -76.71 -39.61 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.94 12.84 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.423 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.9 m-20 -66.68 110.9 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.532 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -110.92 137.16 48.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.545 HG12 ' CG ' ' A' ' 86' ' ' HIS . 5.2 m -126.36 163.88 27.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 7.2 t -85.72 118.74 71.16 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.55 12.69 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.4 p -113.56 -20.73 11.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.472 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 85' ' ' ALA . 1.6 ttp85 -133.65 144.24 49.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.09 55.1 1.11 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 83' ' ' ARG . . . -128.77 130.66 47.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.545 ' CG ' HG12 ' A' ' 79' ' ' VAL . 23.5 m170 -100.71 146.28 27.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.556 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 15.7 m-85 -126.23 131.26 51.99 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.4 100.55 50.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.626 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -74.96 162.86 36.52 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -87.94 124.43 33.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.893 HD12 ' HG2' ' A' ' 73' ' ' GLN . 9.2 mt -91.35 130.85 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -135.29 133.3 38.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.229 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.8 114.24 4.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.905 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.48 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.5 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -61.16 -41.8 97.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -54.22 49.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -62.44 -33.68 75.3 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 101' ' ' LYS . 32.6 mt -60.83 -49.44 84.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -25.84 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.223 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -75.08 67.8 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -82.84 173.63 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 151.81 89.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 1.2 m-20 62.67 34.32 14.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 0.812 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.402 HG21 ' HE2' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -117.84 157.31 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.889 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.6 tt -105.12 138.9 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.889 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.2 pm0 -134.84 141.23 46.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.68 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 13.5 t90 -134.2 154.12 51.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.68 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.18 -177.02 21.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -123.93 127.18 47.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.55 ' CD1' ' HG2' ' A' ' 63' ' ' GLN . 19.0 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.547 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 9.3 t80 -74.47 101.56 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.9 t -133.56 119.22 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 7' ' ' PHE . 38.2 mt -109.39 133.76 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.24 110.32 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.51 27.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -83.42 -34.07 25.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.894 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.2 m-80 -115.14 145.52 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 8.5 m-85 -133.29 142.29 48.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.57 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 19.0 m-85 -118.97 123.08 43.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.741 HD23 HG22 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -106.13 136.0 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.185 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 m -123.9 123.32 40.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.757 ' CE1' HD12 ' A' ' 60' ' ' ILE . 9.2 m-85 -111.63 102.04 52.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.5 Cg_endo -75.03 134.94 18.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.2 ttmm 39.77 56.33 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.5 t -114.65 125.05 53.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 108.303 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -86.6 13.52 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.98 133.89 46.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.497 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.9 p -87.1 164.19 16.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HB2' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.18 -29.65 66.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.59 -45.27 79.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.497 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.1 m120 -69.69 -42.93 73.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -69.13 -35.86 76.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.606 ' HG ' HD22 ' A' ' 111' ' ' LEU . 1.2 tm? -68.65 -47.12 67.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 m -67.0 -45.36 77.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.4 ' CB ' HD23 ' A' ' 78' ' ' LEU . 59.4 mt-30 -64.04 -35.94 82.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.8 mm -65.99 -34.42 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.547 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.5 -40.31 92.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -73.52 -13.41 61.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -73.43 112.37 9.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.624 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 5.4 pt20 -83.64 162.16 20.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.571 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.42 156.33 45.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.366 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.88 -3.17 13.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.047 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.607 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -115.86 -107.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.607 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.1 t30 -168.52 142.6 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -90.57 125.43 35.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 tp -103.4 -83.93 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -103.51 153.0 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -137.23 118.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' CE ' HG21 ' A' ' 110' ' ' VAL . 8.3 tptt -118.38 119.5 34.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.643 1.215 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.51 HG22 ' HB2' ' A' ' 25' ' ' LYS . 47.3 mt -127.5 115.12 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.392 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -127.9 138.56 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.47 ' HA ' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -97.04 142.65 28.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.177 . . . . 0.0 110.327 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.532 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 9.0 tp10 -142.47 134.39 27.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.811 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.8 mm? -98.29 135.04 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 38.2 m170 -82.44 154.33 25.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.96 -6.87 49.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -85.84 -0.69 56.02 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.372 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.22 4.4 83.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.046 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 12.9 pt-20 -96.55 131.41 28.33 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.811 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.95 124.17 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.594 1.839 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.532 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 3.7 t-80 -114.51 155.2 26.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.554 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.84 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -132.01 139.8 48.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.84 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -118.3 142.57 47.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.757 HD12 ' CE1' ' A' ' 18' ' ' TYR . 73.0 mt -142.46 137.19 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.57 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.61 110.66 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.562 HD12 HD21 ' A' ' 16' ' ' LEU . 2.7 mt -117.25 147.66 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.243 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' OE1' ' HA ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.35 118.23 15.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 35.2 m-85 -91.41 157.55 17.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -33.61 73.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.24 159.93 19.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -58.87 118.15 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.242 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.548 ' HB2' HG21 ' A' ' 39' ' ' THR . 4.0 t80 -96.77 141.56 29.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.432 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -100.34 107.0 18.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.4 t -103.86 69.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 108.245 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.4 t -95.04 30.84 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -162.05 122.8 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 12.8 mt-30 -87.54 41.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -116.27 -18.99 10.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.624 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.3 t80 -77.05 -39.41 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.507 ' CD2' HG12 ' A' ' 91' ' ' ILE . 21.2 m-85 -87.99 12.82 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.1 m-20 -66.9 108.21 2.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.516 ' CD1' ' OH ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -109.02 137.14 47.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.414 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.2 m -121.76 163.83 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.0 t -85.78 119.26 71.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.057 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -6.09 17.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.782 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.97 -20.28 12.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.7 OUTLIER -132.91 142.35 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.9 t -76.15 56.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.25 144.58 51.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.414 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 25.1 m170 -108.34 146.92 32.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.585 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 12.6 m-85 -126.36 131.47 51.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.72 100.34 42.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 158.88 41.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.613 1.849 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -87.3 115.63 24.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.551 HG21 ' SG ' ' A' ' 70' ' ' CYS . 10.0 mt -85.34 130.33 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.5 133.09 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.3 113.89 3.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.754 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.515 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.0 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -40.21 96.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -47.14 82.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.455 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 16.4 t80 -68.24 -41.3 81.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.03 -26.19 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -81.65 -39.04 24.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.733 ' CG ' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -73.28 63.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.95 -166.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.55 100.69 0.83 Allowed Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.59 31.62 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 0.702 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.452 HG21 ' CE ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -116.09 166.03 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.18 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.726 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.6 tt -104.64 135.43 46.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.726 ' N ' HD23 ' A' ' 111' ' ' LEU . 3.2 tt0 -123.44 132.21 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.654 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 9.6 t90 -141.34 149.28 40.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 108.01 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.654 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.85 178.74 10.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.67 129.5 51.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 0.807 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.515 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 14.6 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 8' ' ' SER . 1.3 tmm_? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.533 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 11.0 t80 -76.71 102.78 6.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' NH1' ' A' ' 6' ' ' ARG . 0.8 OUTLIER -132.6 113.96 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.941 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 7' ' ' PHE . 18.2 mt -106.55 134.28 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -134.51 111.24 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.22 163.63 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -33.67 24.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.958 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.3 m-80 -114.67 146.74 40.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.423 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 13.1 m-85 -133.52 142.34 48.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 61' ' ' LEU . 19.0 m-85 -120.25 119.88 34.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -104.41 130.66 52.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -118.15 134.25 55.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.473 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.711 ' OH ' HD12 ' A' ' 60' ' ' ILE . 1.1 m-85 -126.48 102.15 26.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.98 140.57 25.67 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.788 . . . . 0.0 111.064 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 18.4 ptmt 39.25 36.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.519 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.6 t -92.4 121.24 33.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 108.253 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.64 12.71 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 23' ' ' LEU . 17.0 tp -71.16 134.28 46.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.41 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.1 p -86.53 160.82 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -67.75 -28.75 67.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.48 -48.66 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.41 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 10.0 m120 -65.23 -44.27 88.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.37 -32.43 71.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.228 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.647 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -69.38 -44.3 71.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.432 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -69.49 -43.93 72.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.432 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 32.3 mt-30 -65.89 -48.24 72.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 9.9 mm -65.48 -45.35 93.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 42.9 m -62.69 -38.34 90.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.25 -10.26 59.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.592 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.53 118.43 17.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 16.2 mt-30 -81.43 162.54 23.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.497 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.11 158.81 44.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.493 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -74.96 -6.74 18.46 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.6 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.45 -105.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.6 ' H ' HG23 ' A' ' 39' ' ' THR . 1.3 t30 -172.43 141.07 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HZ3' ' CG2' ' A' ' 62' ' ' ILE . 4.8 mtpm? -89.7 116.72 28.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.592 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -84.11 -64.55 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.228 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.666 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 21.5 t80 -137.29 164.38 28.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.666 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 5.4 mt -135.91 124.62 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' CE ' HG21 ' A' ' 110' ' ' VAL . 2.5 tptt -116.37 108.17 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 29' ' ' LEU . 79.9 mt -115.64 115.54 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -128.78 139.88 51.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.466 ' HA ' HD22 ' A' ' 58' ' ' LEU . 4.2 ttp85 -96.57 142.83 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 110.361 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 7.3 tt0 -143.96 134.45 24.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.3 mm? -98.02 135.1 40.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.49 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 40.7 m170 -85.51 154.63 21.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.11 -6.64 50.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -82.74 2.18 35.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.79 -1.21 89.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 16.2 pt-20 -96.75 138.8 21.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 110.256 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.649 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.01 131.59 14.45 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.49 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 4.7 t-80 -117.54 154.99 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.656 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.878 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -133.17 140.64 47.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.878 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -118.97 143.93 46.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.645 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.711 HD12 ' OH ' ' A' ' 18' ' ' TYR . 5.2 mt -142.53 134.89 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 1.2 tm? -138.41 110.19 7.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.385 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.49 HG12 HG23 ' A' ' 44' ' ' ILE . 2.1 mt -114.86 150.19 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.263 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.26 116.72 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -91.52 156.19 17.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.592 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -62.29 -33.6 74.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.61 159.59 20.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -58.92 120.17 8.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.228 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.477 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 4.5 t80 -100.94 142.37 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.416 HD22 ' N ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -100.78 117.47 34.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.448 ' HG ' ' HE2' ' A' ' 76' ' ' PHE . 6.2 t -114.76 70.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.444 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.1 t -93.09 29.48 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -161.04 119.73 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.887 ' HG2' HD12 ' A' ' 91' ' ' ILE . 32.2 mt-30 -86.59 42.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 43.7 mtt85 -117.48 -18.95 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 13.9 t80 -76.85 -39.52 50.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.448 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 22.7 m-85 -87.85 12.4 13.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.6 m-20 -67.71 110.46 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.527 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -105.66 136.23 45.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.453 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 3.1 m -124.64 163.44 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 7.7 t -86.39 118.29 70.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -2.28 12.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.0 p -113.59 -20.61 11.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 110.388 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' SER . 17.9 ttt180 -133.62 144.04 48.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.01 56.93 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.7 131.4 44.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.453 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 24.3 m170 -102.25 146.13 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.531 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.5 m-85 -126.52 132.12 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.66 101.45 43.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.94 159.91 41.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -87.52 121.49 30.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.887 HD12 ' HG2' ' A' ' 73' ' ' GLN . 12.4 mt -87.79 130.43 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.27 132.97 38.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.5 114.18 4.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.958 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.53 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.1 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -62.42 -42.2 99.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.1 t -57.68 -45.82 85.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.908 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -69.08 -35.69 76.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.533 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 56.2 mt -65.77 -38.2 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 109.382 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -30.47 70.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -75.02 73.66 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -82.77 167.3 18.27 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 151.52 94.15 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 7.1 m-20 64.6 32.7 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -121.96 162.18 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 112' ' ' GLU . 8.0 tt -105.05 145.57 30.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.175 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.768 ' N ' HD23 ' A' ' 111' ' ' LEU . 42.9 mt-10 -130.78 125.5 33.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.654 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.3 t90 -130.21 151.32 50.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 108.068 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.654 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.51 -177.76 16.28 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.575 1.172 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -123.41 117.42 25.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 5.1 t80 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.163 . . . . 0.0 111.046 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.49 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 16.3 t80 -74.1 103.1 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.402 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 4.2 p -132.27 119.09 20.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 51.1 mt -110.62 135.49 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.53 110.7 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 164.05 27.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.39 -24.27 24.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.187 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.817 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.7 m-80 -113.84 136.08 53.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.606 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.4 m-85 -133.48 133.26 42.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.574 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 40.0 m-85 -120.88 125.18 46.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.525 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.4 mm? -104.13 133.56 48.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -119.55 125.94 50.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.956 ' OH ' HD12 ' A' ' 60' ' ' ILE . 6.6 m-85 -115.42 102.16 54.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 137.68 21.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 pttt 40.1 46.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.6 t -108.13 120.59 42.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.22 15.11 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.414 HD21 HD22 ' A' ' 78' ' ' LEU . 19.4 tp -70.18 135.67 49.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.448 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.0 p -86.76 165.66 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.49 -28.9 64.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -66.13 -48.55 70.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.448 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 10.5 m120 -65.52 -44.39 87.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.546 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.66 -34.08 75.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.605 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.4 tm? -69.09 -40.92 78.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 71.9 m -68.17 -44.78 75.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' HD13 ' A' ' 35' ' ' LEU . 35.4 mt-30 -68.13 -48.29 65.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' O ' ' HE2' ' A' ' 41' ' ' LYS . 20.8 mm -62.44 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.267 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.605 ' HG1' HD22 ' A' ' 29' ' ' LEU . 54.5 m -63.13 -32.95 74.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.48 HD22 ' N ' ' A' ' 34' ' ' ASN . 1.4 m-80 -84.16 -11.21 56.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.32 117.76 16.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.571 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -79.48 163.16 24.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.542 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 1.2 t -146.32 153.72 48.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.542 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.04 -15.84 20.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.57 1.826 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.76 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -101.59 -93.46 0.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.76 ' H ' HG23 ' A' ' 39' ' ' THR . 0.8 OUTLIER 178.1 140.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' HE2' ' O ' ' A' ' 32' ' ' ILE . 7.8 mtpp -88.66 123.35 33.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.1 mp -96.15 -86.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 50.9 t80 -103.61 154.24 19.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.055 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.713 HG12 HG23 ' A' ' 62' ' ' ILE . 65.5 mt -145.16 115.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.655 ' HE2' HG21 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -136.11 128.69 30.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.53 ' CG2' HD11 ' A' ' 58' ' ' LEU . 3.3 mt -118.97 115.13 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.51 ' HA ' HG12 ' A' ' 110' ' ' VAL . 10.6 t -110.72 138.63 46.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 108.293 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -96.97 144.13 27.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.24 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 57' ' ' HIS . 28.0 tt0 -145.57 135.52 23.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.835 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.1 mm? -98.09 134.85 40.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.45 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 34.1 m170 -84.15 154.49 23.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.666 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.64 -6.94 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -83.21 1.16 42.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.78 0.69 89.15 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.44 136.92 21.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.835 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 123.53 7.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 5.1 t-80 -108.62 154.89 21.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -130.34 138.08 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.83 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -118.39 144.34 45.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 109.675 179.889 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.956 HD12 ' OH ' ' A' ' 18' ' ' TYR . 9.5 mt -139.24 139.84 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -138.61 110.62 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.934 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.713 HG23 HG12 ' A' ' 44' ' ' ILE . 5.7 mt -119.07 151.97 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.556 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 25.3 tt0 -128.93 143.23 50.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.437 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 92.1 m-85 -119.2 147.72 43.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.508 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -62.93 -33.6 75.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.43 164.15 20.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -59.61 109.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.633 ' HB2' HG21 ' A' ' 39' ' ' THR . 1.4 t80 -90.99 135.28 33.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.449 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.42 110.26 22.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.5 t -105.68 71.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 108.373 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.3 t -95.93 31.67 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.351 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -153.91 122.85 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.703 ' HA ' HD11 ' A' ' 91' ' ' ILE . 2.2 pt20 -86.8 26.21 1.16 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.464 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.6 mtp180 -115.57 -11.49 11.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.403 1.064 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.571 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.7 t80 -77.81 -21.48 51.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.419 ' O ' HD12 ' A' ' 78' ' ' LEU . 19.4 m-85 -112.91 13.31 19.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.464 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.3 m-20 -66.63 106.14 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -104.19 136.03 44.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.439 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.7 m -122.69 163.62 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 83' ' ' ARG . 11.8 t -86.31 118.35 70.2 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.65 12.82 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.0 p -113.44 -20.66 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 12.2 ttm180 -133.6 144.33 49.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.68 56.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.67 134.09 47.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.439 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 26.3 m170 -104.88 146.36 29.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.632 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 15.9 m-85 -126.59 132.69 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -111.75 100.8 49.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.632 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.515 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.01 159.29 41.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -87.2 131.71 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' A' ' 73' ' ' GLN . 7.6 mt -97.29 119.61 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.466 ' CG ' ' HB2' ' A' ' 15' ' ' PHE . 12.5 pt20 -135.96 132.79 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.61 130.05 10.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.594 1.184 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.817 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.327 -0.404 0 O-C-N 124.52 0.776 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.707 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 18.3 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -38.94 75.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 t -58.13 -46.46 85.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 2.4 t80 -71.16 -34.29 70.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 67.0 mt -63.75 -32.87 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.64 -24.77 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -74.86 68.48 1.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -83.07 -178.26 7.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.224 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.0 77.52 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.57 70.76 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.655 HG21 ' HE2' ' A' ' 45' ' ' LYS . 6.2 m -140.94 166.0 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.911 HD23 ' N ' ' A' ' 112' ' ' GLU . 6.1 tt -104.95 143.16 33.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.608 1.193 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.911 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -120.45 128.37 53.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.644 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.9 t90 -141.8 153.92 44.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.644 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 59.7 174.63 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.11 122.32 37.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.707 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.9 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 10.3 t80 -76.97 102.5 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.415 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.63 113.02 12.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.429 HD11 ' CE1' ' A' ' 7' ' ' PHE . 71.7 mt -106.31 133.41 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -134.73 110.44 9.24 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.37 163.47 27.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -86.5 -26.34 24.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.633 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 6.3 m-80 -117.22 135.24 53.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.4 m-85 -127.44 142.35 51.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 12.8 m-85 -119.72 122.05 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -104.76 129.4 53.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.507 HG23 ' NE2' ' A' ' 57' ' ' HIS . 16.1 m -121.04 118.28 29.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.526 ' OH ' ' CD1' ' A' ' 78' ' ' LEU . 17.4 m-85 -107.51 101.78 41.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.04 138.8 23.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 7.1 mttt 39.89 46.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.493 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.8 t -105.98 120.97 43.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 108.346 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.04 14.55 7.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.63 135.17 49.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.647 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.2 p -85.08 162.2 19.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.9 -29.6 66.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -48.17 74.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.647 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.1 m120 -66.52 -44.09 83.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.489 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.65 -33.08 74.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.15 -44.81 71.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.459 ' N ' HD13 ' A' ' 29' ' ' LEU . 66.0 m -67.83 -44.69 76.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.542 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 10.8 mt-30 -65.9 -47.75 73.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' A' ' 28' ' ' ALA . 18.7 mm -64.44 -45.47 95.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.545 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.4 m -62.48 -38.44 89.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.449 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 30' ' ' SER . 28.0 m120 -81.6 -7.72 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -74.92 119.09 18.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.623 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 35.2 mt-30 -81.14 163.34 23.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.596 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -146.32 160.79 41.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 -22.74 14.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.781 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.608 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -100.37 -99.15 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.608 ' H ' HG23 ' A' ' 39' ' ' THR . 1.3 t30 -175.2 144.64 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.713 ' HZ2' HG21 ' A' ' 62' ' ' ILE . 7.2 mtpp -90.46 118.71 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.7 tp -89.98 -59.89 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 116' ' ' PHE . 37.4 t80 -137.28 157.36 46.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.585 HG23 HG12 ' A' ' 62' ' ' ILE . 27.8 mt -138.41 116.8 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.521 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 8.4 tptt -116.74 117.29 29.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.228 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.434 ' O ' ' HB ' ' A' ' 110' ' ' VAL . 22.0 mt -118.75 114.98 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.5 t -124.86 136.55 53.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 108.296 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 28.8 ttt180 -103.36 142.38 34.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 49' ' ' GLU . 7.2 tp10 -141.85 132.66 25.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.801 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.2 mm? -99.12 135.29 40.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.449 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 29.1 m170 -83.03 153.74 24.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.562 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.77 -6.57 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -86.38 -2.64 58.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.65 5.92 77.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 15.5 pt-20 -96.66 127.01 41.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.801 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.98 134.81 18.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.436 1.756 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.507 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.8 t-80 -127.12 152.04 47.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 109.542 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -128.54 139.87 52.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.618 1.199 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.869 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -122.66 141.37 51.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.567 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.489 HD11 ' HB1' ' A' ' 28' ' ' ALA . 9.5 mt -142.85 139.46 27.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 tm? -138.41 109.47 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.713 HG21 ' HZ2' ' A' ' 41' ' ' LYS . 5.8 mt -116.95 147.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.02 115.94 13.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 36.8 m-85 -90.26 157.19 17.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.43 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -60.56 -33.74 73.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.86 156.62 18.91 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.504 1.127 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -59.03 111.22 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 0.807 . . . . 0.0 109.366 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.471 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.5 t80 -87.88 137.79 32.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.454 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -96.76 107.47 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 10.4 t -106.17 69.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.415 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.5 t -94.03 30.65 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -163.91 115.8 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -80.94 48.76 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -118.2 -22.57 7.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.623 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.5 t80 -76.44 -38.71 55.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.947 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 91' ' ' ILE . 24.7 m-85 -87.77 12.21 13.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 69.0 m-20 -69.77 106.65 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.542 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -106.4 136.85 45.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.474 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 1.9 m -123.59 165.18 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 83' ' ' ARG . 31.3 t -84.75 119.54 72.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -6.24 17.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 p -111.45 -20.98 12.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.458 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.3 ttm-85 -133.99 145.36 49.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.38 54.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.47 132.92 52.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.474 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 24.1 m170 -102.15 147.15 26.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.612 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -126.16 133.29 51.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.24 101.38 45.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.51 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.06 159.51 41.05 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.25 119.68 27.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 73' ' ' GLN . 21.1 mt -88.37 125.08 41.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -135.25 132.4 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.18 113.73 4.79 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -47.35 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.6 m -57.61 -48.91 78.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -62.9 -35.56 80.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.613 HD12 ' CE2' ' A' ' 116' ' ' PHE . 27.1 mt -69.23 -32.36 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -26.87 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -73.48 67.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.03 169.4 15.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.01 93.11 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 61.33 34.3 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.259 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 2.1 m -111.79 163.48 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.846 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.1 tt -105.26 145.62 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.846 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.4 mp0 -129.96 130.74 45.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.221 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.569 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 5.9 t90 -137.46 142.98 41.57 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.569 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 74.81 -173.44 52.18 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.439 1.087 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -122.63 119.7 31.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.721 . . . . 0.0 110.362 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.613 ' CE2' HD12 ' A' ' 104' ' ' ILE . 21.0 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.64 ' CE1' HD11 ' A' ' 9' ' ' ILE . 10.4 t80 -78.25 101.56 7.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.457 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.5 OUTLIER -133.27 119.93 20.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.946 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.64 HD11 ' CE1' ' A' ' 7' ' ' PHE . 21.8 mt -113.92 134.88 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.9 111.38 9.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.32 163.55 27.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -33.7 32.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.534 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.2 m-80 -114.49 146.58 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.2 m-85 -133.56 144.19 49.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 61' ' ' LEU . 36.8 m-85 -120.14 124.59 46.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -104.22 128.81 51.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -119.49 119.37 33.66 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 6.3 m-85 -112.08 102.02 52.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.94 21.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 2.8 mtpp 39.24 45.32 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.6 t -100.64 121.5 41.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 108.244 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.81 14.21 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.453 HD21 HD22 ' A' ' 78' ' ' LEU . 15.7 tp -70.39 137.88 50.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.747 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -87.18 160.5 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.27 -30.04 68.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -47.89 72.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.747 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.1 m120 -65.48 -43.82 89.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.67 -34.58 75.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.592 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.1 tm? -69.25 -41.4 76.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -45.1 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.625 ' O ' HD13 ' A' ' 35' ' ' LEU . 36.9 mt-30 -67.81 -48.14 67.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.0 mm -62.47 -45.68 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.592 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.5 m -65.04 -37.54 87.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.542 HD22 ' N ' ' A' ' 34' ' ' ASN . 1.1 m-80 -82.21 -8.74 59.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.47 118.66 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.349 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.63 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -82.61 162.35 21.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.537 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.22 157.92 45.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.05 -5.35 16.66 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.603 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.95 -107.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.451 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.4 t30 -170.85 142.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.247 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.651 ' HZ2' HG21 ' A' ' 62' ' ' ILE . 6.7 mttp -90.58 116.4 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -89.49 -59.1 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 59.6 t80 -137.16 155.07 50.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.413 HG23 HG12 ' A' ' 62' ' ' ILE . 45.0 mt -136.24 118.96 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -110.67 124.22 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.7 mt -128.19 116.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.2 t -126.2 138.86 53.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -96.84 142.43 28.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.741 ' C ' HD22 ' A' ' 50' ' ' LEU . 7.9 tp10 -140.37 136.77 33.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.9 mm? -127.06 135.58 50.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.433 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 25.7 m170 -91.66 154.59 18.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.14 -6.64 53.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -83.09 -3.1 56.94 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.01 3.82 72.81 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 19.1 pt-20 -96.39 118.86 65.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.404 0.708 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.899 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.04 150.38 37.9 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 8.7 t-80 -140.48 152.28 45.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.619 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.796 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -133.57 135.88 44.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.796 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -121.78 137.21 54.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.559 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.541 HD12 ' OH ' ' A' ' 18' ' ' TYR . 77.4 mt -142.39 139.06 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -138.39 110.73 7.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.651 HG21 ' HZ2' ' A' ' 41' ' ' LYS . 3.5 mt -115.12 149.64 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.517 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.41 116.61 14.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 43.6 m-85 -91.14 156.44 17.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.482 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.34 -33.63 73.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.28 156.83 17.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -58.76 112.38 1.61 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 0.792 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.48 ' HB2' HG21 ' A' ' 39' ' ' THR . 8.0 t80 -90.83 142.09 28.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.414 1.071 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.91 115.1 29.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.868 ' SG ' HG21 ' A' ' 91' ' ' ILE . 7.2 t -111.3 70.49 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 108.326 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.457 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 5.6 t -100.54 33.98 2.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -168.95 109.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.456 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -76.12 55.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.228 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.408 ' HA ' ' OD2' ' A' ' 77' ' ' ASP . 3.4 mmt85 -121.96 -25.56 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.4 t80 -76.4 -39.26 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 27.0 m-85 -88.32 12.87 12.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 65.2 m-20 -69.86 106.72 3.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.537 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -103.89 136.02 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.552 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.4 m -124.39 164.34 22.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 83' ' ' ARG . 41.6 t -85.43 118.77 71.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -5.54 16.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.782 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.6 p -111.57 -20.94 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.6 1.187 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.87 144.58 49.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.52 58.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.064 . . . . 0.0 110.057 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.37 135.48 48.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.552 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 24.8 m170 -108.25 145.91 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -126.53 136.57 52.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.09 103.05 52.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.642 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.0 160.12 40.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -87.47 118.02 26.64 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.868 HG21 ' SG ' ' A' ' 70' ' ' CYS . 13.3 mt -88.41 125.6 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.3 tt0 -135.31 133.23 38.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.417 1.073 . . . . 0.0 110.23 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.16 114.18 4.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.534 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.499 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.1 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -43.34 96.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.46 -53.03 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.957 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -62.82 -35.48 80.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.551 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 36.3 mt -62.46 -37.87 79.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -25.31 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -75.09 69.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.91 171.4 13.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 147.5 94.27 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 42.9 m-20 62.53 33.62 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.236 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.88 165.73 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.11 . . . . 0.0 109.235 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.2 tt -105.02 145.66 30.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.544 ' N ' HD23 ' A' ' 111' ' ' LEU . 24.3 mt-10 -132.81 123.6 26.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.663 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 7.2 t90 -130.72 148.43 52.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 108.007 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.663 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 69.29 -179.39 25.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.74 120.58 33.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 7.5 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.495 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 13.7 t80 -76.91 103.35 6.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.405 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.0 OUTLIER -131.98 110.55 10.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.3 mt -107.26 133.92 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -134.25 109.64 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.6 163.74 27.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 109.257 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -24.86 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.797 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.1 m-80 -114.16 133.42 55.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.0 m-85 -129.6 138.33 51.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 94' ' ' ALA . 38.2 m-85 -120.05 126.48 50.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.4 mm? -104.83 129.34 53.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.695 HG23 ' NE2' ' A' ' 57' ' ' HIS . 26.3 m -119.88 117.87 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.61 ' CD2' ' HB3' ' A' ' 89' ' ' PRO . 5.8 m-85 -111.38 102.68 53.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.06 142.02 27.17 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.602 1.843 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 7.5 pttt 37.84 37.28 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 11.7 t -93.13 118.84 31.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 108.243 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -86.46 11.97 11.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.619 HD21 HD22 ' A' ' 78' ' ' LEU . 22.0 tp -71.14 135.15 47.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.414 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.9 p -85.09 163.69 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -70.86 -28.16 64.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.23 -48.98 71.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.228 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.414 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 6.0 m120 -66.79 -43.81 82.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.14 -32.99 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.565 HD22 ' OG1' ' A' ' 33' ' ' THR . 0.7 OUTLIER -69.06 -44.63 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -68.4 -43.84 76.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.6 ' O ' HD13 ' A' ' 35' ' ' LEU . 27.0 mt-30 -65.99 -48.42 71.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' HA ' ' HB2' ' A' ' 35' ' ' LEU . 17.8 mm -64.82 -45.36 95.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.565 ' OG1' HD22 ' A' ' 29' ' ' LEU . 46.2 m -62.9 -35.07 78.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -85.26 -8.79 58.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.6 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.58 119.01 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.639 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 13.3 pt20 -82.45 162.62 22.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.573 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -146.86 159.15 44.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.377 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.508 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.04 -3.5 14.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.593 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -116.54 -107.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.593 ' H ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -170.87 141.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -91.02 125.62 35.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.3 tp -100.43 -56.15 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.537 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 61.4 t80 -137.12 154.16 50.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.558 HG23 HG12 ' A' ' 62' ' ' ILE . 57.3 mt -138.27 118.09 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HE2' HG21 ' A' ' 110' ' ' VAL . 5.0 tptt -110.58 125.31 53.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.534 HG23 HD21 ' A' ' 58' ' ' LEU . 63.8 mt -128.76 115.62 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.3 m -129.85 139.42 51.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 108.261 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.9 147.27 24.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.756 ' O ' HD22 ' A' ' 50' ' ' LEU . 10.8 tp10 -140.33 157.23 45.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 49' ' ' GLU . 3.7 mm? -126.53 134.76 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -93.82 156.44 16.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -6.91 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -84.23 -1.1 54.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.88 2.93 88.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.42 124.11 52.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.281 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.554 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.02 129.97 12.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.695 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.2 t-80 -122.74 155.15 37.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.708 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.534 HD21 HG23 ' A' ' 46' ' ' ILE . 4.9 tt -132.65 141.83 48.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.488 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -117.53 142.18 47.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.586 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.456 ' CD1' HG12 ' A' ' 46' ' ' ILE . 5.8 mt -142.1 138.92 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -137.25 111.11 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.558 HG12 HG23 ' A' ' 44' ' ' ILE . 4.7 mt -114.7 149.31 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.545 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.76 116.75 14.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 179.919 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -91.12 156.85 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.486 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -60.62 -33.51 72.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.25 158.1 20.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -58.9 121.01 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.479 ' HB2' HG21 ' A' ' 39' ' ' THR . 7.0 t80 -100.27 142.72 31.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.14 108.37 20.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.835 ' SG ' HD13 ' A' ' 91' ' ' ILE . 10.5 t -102.99 68.62 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.248 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.5 t -95.49 31.11 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -162.58 117.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.453 ' HG3' ' CE2' ' A' ' 7' ' ' PHE . 1.1 mt-30 -86.53 43.22 1.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -116.64 -20.74 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.639 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.8 -39.45 51.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 27.6 m-85 -87.88 12.55 12.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.4 m-20 -66.86 111.11 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.619 HD22 HD21 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -108.46 136.92 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.427 HG12 ' CG ' ' A' ' 86' ' ' HIS . 5.6 m -125.83 163.91 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.36 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.1 t -85.76 117.8 69.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -3.84 14.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.442 1.759 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.6 p -111.95 -21.09 11.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 1.7 ttt180 -133.79 144.01 48.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.06 58.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.75 134.42 46.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.427 ' CG ' HG12 ' A' ' 79' ' ' VAL . 24.9 m170 -104.6 147.59 27.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.593 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -126.2 134.23 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.02 102.25 45.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.662 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.61 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.92 159.43 41.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -98.64 120.5 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.835 HD13 ' SG ' ' A' ' 70' ' ' CYS . 7.1 mt -85.89 129.94 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.381 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -135.16 132.98 38.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.51 120.77 6.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.797 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.446 0.733 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.496 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 26.7 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -38.3 83.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 m -57.55 -46.81 83.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -71.4 -33.57 69.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 31.4 mt -63.63 -34.32 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.18 -23.91 63.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -74.12 67.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.1 -178.16 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.63 71.27 0.06 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.442 1.089 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.36 68.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 0.782 . . . . 0.0 109.272 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.443 HG21 ' HE2' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -140.85 166.61 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.3 tt -104.71 142.51 34.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.785 ' N ' HD23 ' A' ' 111' ' ' LEU . 5.6 tt0 -125.1 126.69 45.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.534 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 30.4 t90 -134.59 154.43 51.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.534 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.15 179.18 3.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.46 1.1 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.1 119.39 29.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.545 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 9.0 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.523 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 10.8 t80 -77.91 102.89 7.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.14 110.85 10.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.068 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.5 mt -103.22 135.05 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 109.67 8.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.55 163.95 27.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.211 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -22.98 23.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.0 m-80 -115.0 137.1 52.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.569 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.5 m-85 -133.91 137.0 44.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 58.0 m-85 -120.39 127.59 52.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.8 mm? -104.69 133.07 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.55 HG23 ' NE2' ' A' ' 57' ' ' HIS . 11.7 m -121.27 121.23 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.46 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 6.2 m-85 -115.4 104.14 53.61 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.489 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.02 140.86 25.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 5.2 pttt 37.72 41.44 0.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.491 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 9.1 t -98.59 120.72 39.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 108.28 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -87.01 14.75 6.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.408 HD21 HD22 ' A' ' 78' ' ' LEU . 20.1 tp -70.87 136.14 48.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.681 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.6 p -86.5 162.93 17.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.67 -29.05 65.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -66.12 -47.92 72.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.681 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.3 m120 -66.03 -44.22 85.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -69.29 -33.53 73.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.574 HD22 ' OG1' ' A' ' 33' ' ' THR . 0.8 OUTLIER -68.96 -42.7 76.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 74.6 m -69.53 -44.4 71.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.566 ' NE2' HD23 ' A' ' 78' ' ' LEU . 27.4 mt-30 -66.17 -47.59 73.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.0 mm -65.13 -45.71 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.574 ' OG1' HD22 ' A' ' 29' ' ' LEU . 51.2 m -63.4 -33.99 76.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.485 HD22 ' N ' ' A' ' 34' ' ' ASN . 1.4 m-80 -83.83 -10.24 58.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.33 117.44 16.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.496 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 1.2 mt-30 -79.51 161.51 25.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.717 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.5 OUTLIER -148.4 153.64 40.72 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.602 1.189 . . . . 0.0 110.382 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.514 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.0 Cg_endo -75.11 -0.49 10.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.717 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -113.67 -107.29 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.585 ' H ' HG23 ' A' ' 39' ' ' THR . 1.3 t30 -171.94 134.8 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.479 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 7.1 mttp -90.86 127.21 36.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.896 HD11 ' N ' ' A' ' 65' ' ' GLU . 4.0 mp -103.41 -86.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.484 ' HB2' ' CA ' ' A' ' 116' ' ' PHE . 41.6 t80 -102.82 153.4 20.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.744 HG12 HG23 ' A' ' 62' ' ' ILE . 88.9 mt -141.58 115.92 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.592 ' NZ ' HG21 ' A' ' 110' ' ' VAL . 1.3 tmtp? -118.52 128.59 54.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.5 HG23 HG12 ' A' ' 60' ' ' ILE . 26.5 mt -125.4 117.58 50.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.2 t -122.91 138.13 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 108.316 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.431 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -99.58 144.0 29.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 110.277 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -142.07 134.71 28.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -98.22 134.82 40.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -85.97 150.03 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.61 -7.09 35.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.78 0.81 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 2.94 89.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 19.6 pt-20 -96.53 131.17 28.83 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.94 125.77 9.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.791 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.55 ' NE2' HG23 ' A' ' 17' ' ' THR . 4.8 t-80 -112.03 154.87 24.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.867 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -130.89 140.79 50.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.867 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.12 143.82 49.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 0.0 109.625 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.5 HG12 HG23 ' A' ' 46' ' ' ILE . 4.7 mt -141.89 140.65 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.38 111.51 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.744 HG23 HG12 ' A' ' 44' ' ' ILE . 2.8 mt -119.97 154.44 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.543 ' NE2' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -131.11 145.92 52.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.337 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 42' ' ' LEU . 89.5 m-85 -122.44 153.26 39.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.896 ' N ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -65.92 -33.27 75.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.08 158.24 18.6 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -59.46 110.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.569 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.9 t80 -88.67 134.1 34.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.424 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -96.18 114.13 25.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.665 ' SG ' HD13 ' A' ' 91' ' ' ILE . 8.3 t -111.27 69.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 108.275 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.9 OUTLIER -92.56 29.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -158.99 125.55 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.652 ' HA ' HD11 ' A' ' 91' ' ' ILE . 28.3 mt-30 -88.57 35.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.455 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 6.5 mtm180 -117.01 -15.44 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.496 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.1 t80 -77.26 -25.85 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.482 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 29.8 m-85 -106.13 13.62 28.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.066 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.455 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 70.3 m-20 -65.91 107.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.566 HD23 ' NE2' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -105.72 136.77 44.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.452 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 3.7 m -121.53 164.75 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 25.2 t -85.26 118.43 70.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 p -112.33 -20.74 11.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' SER . 18.5 ttt-85 -133.51 144.23 49.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.235 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.21 56.84 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.59 141.71 50.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.452 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 26.1 m170 -108.7 147.84 31.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 19.2 m-85 -126.27 134.81 51.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.02 101.56 45.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.05 166.19 29.67 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.445 1.761 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.42 122.71 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.665 HD13 ' SG ' ' A' ' 70' ' ' CYS . 8.9 mt -86.83 129.14 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -135.32 132.71 38.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.67 123.96 8.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.614 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 22.0 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -39.47 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.1 t -57.59 -46.16 84.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.519 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 11.0 t80 -71.13 -33.82 70.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.35 -26.87 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -81.75 -37.64 26.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.678 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 4.2 pttt -75.6 35.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 105' ' ' ASP . 7.4 p30 -83.02 179.19 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 158.17 94.81 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 4.9 m-20 79.16 55.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.592 HG21 ' NZ ' ' A' ' 45' ' ' LYS . 1.1 m -137.09 166.71 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.745 ' C ' HD23 ' A' ' 111' ' ' LEU . 2.8 tt -104.63 129.14 52.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.726 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -109.99 143.28 40.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.731 ' CE3' HD12 ' A' ' 44' ' ' ILE . 22.2 t90 -141.3 154.53 45.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.469 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 56.26 179.86 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.08 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -125.55 126.7 45.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.614 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.3 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.55 ' HE1' HD11 ' A' ' 9' ' ' ILE . 12.8 t80 -77.12 102.26 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.9 111.01 10.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.957 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.55 HD11 ' HE1' ' A' ' 7' ' ' PHE . 40.7 mt -104.51 136.77 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -134.84 111.35 9.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.403 ' HA ' ' CE ' ' A' ' 67' ' ' LYS . . . -162.3 163.43 28.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' CE ' ' OD1' ' A' ' 13' ' ' ASN . 8.5 ttpt -84.97 -32.55 22.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.1 m-80 -114.61 141.92 47.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -133.3 142.02 48.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 22.9 m-85 -119.45 123.06 43.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.1 mm? -104.47 132.67 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.409 HG23 ' NE2' ' A' ' 57' ' ' HIS . 3.1 m -120.69 118.02 29.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.842 ' OH ' HD12 ' A' ' 60' ' ' ILE . 10.1 m-85 -108.47 101.29 42.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.08 137.48 21.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER 39.38 46.33 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.6 t -103.09 120.48 40.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -86.84 14.49 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 15.5 tp -70.99 135.89 48.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.7 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.9 p -85.7 156.86 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HD3' HD12 ' A' ' 111' ' ' LEU . 2.1 pptp? -64.54 -29.07 70.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -66.25 -47.85 72.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.7 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -66.36 -43.5 85.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.91 -35.08 76.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.591 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.9 OUTLIER -69.22 -41.64 76.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.386 179.921 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.432 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 14.7 t -68.86 -45.19 71.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.93 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.608 ' O ' HD13 ' A' ' 35' ' ' LEU . 36.7 mt-30 -66.86 -47.38 72.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.4 mm -64.16 -45.39 96.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.591 ' HG1' HD22 ' A' ' 29' ' ' LEU . 45.1 m -64.03 -35.44 80.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.455 HD22 ' N ' ' A' ' 34' ' ' ASN . 1.6 m-80 -83.51 -9.97 58.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.48 118.67 17.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.612 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 16.8 mm-40 -80.32 164.38 23.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.602 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -145.34 161.89 39.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.939 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HD2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 -25.72 11.65 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.65 -93.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.692 ' H ' HG23 ' A' ' 39' ' ' THR . 0.9 OUTLIER 178.26 146.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.602 ' HG3' HG21 ' A' ' 37' ' ' THR . 8.7 mttp -90.27 121.07 31.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.676 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.3 tp -91.85 -57.41 2.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 62' ' ' ILE . 56.2 t80 -137.84 157.93 45.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.437 HD12 ' CE3' ' A' ' 113' ' ' TRP . 53.4 mt -138.65 116.86 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -114.19 128.24 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 69.0 mt -128.81 115.74 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 30.8 t -128.06 139.41 52.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 108.251 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.493 ' HA ' HD22 ' A' ' 58' ' ' LEU . 10.2 ttt180 -97.02 144.28 27.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.577 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 25.7 tt0 -143.76 133.82 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.55 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.8 mm? -98.44 134.56 41.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.477 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 22.3 m170 -85.68 156.14 20.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -77.29 -6.54 53.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.03 -6.24 59.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.49 0.31 70.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.477 ' HG3' ' HB2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -96.37 135.32 22.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.344 179.906 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 123.66 8.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.577 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 4.1 t-80 -109.9 155.47 21.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -132.27 138.12 47.75 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.822 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -117.14 142.67 46.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.641 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.842 HD12 ' OH ' ' A' ' 18' ' ' TYR . 22.8 mt -142.27 136.38 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.613 1.196 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.4 tm? -138.15 110.09 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.545 HG23 ' O ' ' A' ' 43' ' ' PHE . 3.3 mt -117.45 150.9 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.02 116.96 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 44.0 m-85 -90.87 157.42 17.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.676 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -60.21 -33.49 72.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 161.98 22.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 11' ' ' ALA . 22.5 mtpt -58.64 110.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 38' ' ' PRO . 2.9 t80 -87.4 139.19 30.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.406 HD22 ' N ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -96.89 119.19 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.773 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.2 t -115.26 67.37 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.33 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 7' ' ' PHE . 1.4 t -94.19 29.99 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -163.99 117.71 1.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 109.189 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.614 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -86.28 41.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -115.09 -19.03 11.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.612 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 13.0 t80 -76.59 -39.16 53.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.477 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 14.4 m-85 -88.31 12.12 14.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.938 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 71.0 m-20 -67.13 106.83 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.24 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.541 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -105.61 136.36 45.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.478 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.6 m -124.04 163.8 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.9 t -86.17 119.44 71.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -6.83 18.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.56 -19.66 13.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.7 OUTLIER -133.06 142.17 48.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -76.38 56.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.13 140.07 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.478 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 19.2 m170 -107.7 147.75 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.624 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 17.2 m-85 -126.43 131.59 51.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.75 103.56 47.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.642 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.92 158.04 42.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -87.53 121.34 29.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.773 HD13 ' SG ' ' A' ' 70' ' ' CYS . 76.3 mt -85.16 127.72 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.18 132.6 38.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.74 114.45 4.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.511 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.3 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -43.22 91.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.3 m -57.67 -46.9 83.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 25.9 t80 -68.06 -34.32 76.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.528 HD11 ' CE2' ' A' ' 116' ' ' PHE . 62.8 mt -65.21 -40.06 87.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.04 -25.82 65.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -75.02 69.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.9 168.6 16.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.238 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 146.91 97.17 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 17.3 m-20 62.66 33.91 15.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.414 HG21 ' CE ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -122.13 166.66 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.224 -179.919 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.0 tt -104.81 145.46 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.552 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.9 tm-20 -130.91 122.6 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.619 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 20.5 t90 -132.47 154.2 50.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.602 1.189 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.619 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 63.4 -178.51 6.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 m -123.18 120.46 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 0.808 . . . . 0.0 110.443 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 14.7 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.456 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 21.0 t80 -74.04 102.73 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.58 112.83 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.0 mt -108.05 134.35 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.239 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 109.68 8.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.46 163.89 27.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -87.53 -22.67 24.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.376 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.83 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.2 m-80 -115.61 135.97 53.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.6 m-85 -133.55 134.77 43.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.542 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 46.8 m-85 -120.25 127.07 52.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.762 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.5 mm? -104.74 133.98 48.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.598 HG23 ' NE2' ' A' ' 57' ' ' HIS . 13.8 m -120.04 125.48 48.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.368 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.566 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 3.8 m-85 -117.8 101.56 51.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.0 139.77 24.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER 38.11 42.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.517 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 10.0 t -98.63 122.74 42.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -86.6 12.34 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 tp -71.11 134.71 47.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.717 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.6 p -86.72 162.09 18.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -69.74 -29.17 66.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -47.4 73.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.717 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.0 m120 -67.0 -43.78 82.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.66 -35.85 77.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.376 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.612 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.5 tm? -68.09 -42.27 80.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.0 m -71.18 -38.88 72.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 20.4 mt-30 -70.63 -36.28 73.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.663 HD13 ' CD2' ' A' ' 35' ' ' LEU . 5.6 mm -63.75 -36.16 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -41.68 93.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 110.455 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -73.69 -11.78 60.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.663 ' CD2' HD13 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -74.45 114.69 13.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.638 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 6.9 mt-30 -84.89 162.96 19.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.655 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -146.24 158.11 48.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -75.0 -26.1 11.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.778 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -93.09 -102.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.376 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.596 ' H ' HG23 ' A' ' 39' ' ' THR . 0.7 OUTLIER -173.38 138.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.666 ' O ' HD12 ' A' ' 42' ' ' LEU . 8.8 mtpp -83.96 152.77 24.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 41' ' ' LYS . 3.0 mp -132.11 -87.58 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 42.2 t80 -102.77 152.84 20.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.067 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.972 HD12 ' CE3' ' A' ' 113' ' ' TRP . 25.2 mt -138.0 115.59 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.4 OUTLIER -119.64 121.27 38.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.612 HD12 ' HB2' ' A' ' 29' ' ' LEU . 78.7 mt -117.41 114.17 44.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.4 t -113.83 138.76 49.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 108.336 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -98.14 142.71 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -147.95 133.27 18.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.916 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.5 mm? -98.66 134.94 40.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.567 ' CD2' ' CB ' ' A' ' 57' ' ' HIS . 34.8 m170 -80.86 148.99 29.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.44 -6.87 38.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -83.92 1.86 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.42 2.24 89.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 12.6 pt-20 -96.6 136.04 22.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.916 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.04 124.08 8.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.598 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.3 t-80 -112.27 154.59 25.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.655 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.883 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -131.38 141.2 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.883 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -120.11 144.45 47.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.64 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.547 HD11 ' HB1' ' A' ' 28' ' ' ALA . 13.4 mt -140.85 138.16 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -138.46 111.6 7.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.593 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 3.3 mt -122.36 151.72 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.538 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -132.26 145.56 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 59.0 m-85 -119.86 156.62 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -33.69 73.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.73 160.33 21.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -59.08 118.08 5.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.282 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.557 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 3.8 t80 -93.88 140.8 29.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.434 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -101.33 111.7 24.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.741 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.1 t -107.28 69.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.4 t -94.88 31.1 1.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -164.5 116.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.553 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -82.21 46.14 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.2 mmp_? -119.15 -18.78 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.638 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.7 t80 -77.06 -37.47 54.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.762 ' CE1' HD21 ' A' ' 16' ' ' LEU . 26.2 m-85 -90.66 12.66 18.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 67.0 m-20 -67.08 106.51 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -108.94 136.69 48.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 3.1 m -121.58 164.13 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 6.6 t -85.82 118.41 70.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.82 13.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 111.046 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.2 p -112.81 -20.66 11.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 17.6 ttt85 -133.71 143.64 48.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.242 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 56.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.63 138.02 49.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 28.4 m170 -102.67 147.82 26.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.9 m-85 -126.32 128.35 46.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.97 101.41 44.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.618 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.566 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.6 Cg_endo -74.95 164.79 32.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -96.4 125.09 40.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.741 HD13 ' SG ' ' A' ' 70' ' ' CYS . 13.1 mt -85.39 129.2 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.11 133.03 38.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.53 125.01 8.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.83 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.69 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 23.0 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -40.48 89.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.82 -47.15 83.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.585 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 19.7 t80 -71.61 -33.83 69.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.13 -34.79 61.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -25.04 65.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 69.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.22 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.07 -175.05 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 110' ' ' VAL . . . 120.31 96.3 1.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 51.71 67.72 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 108' ' ' GLY . 14.4 m -141.07 164.41 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.72 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.5 tt -105.36 147.23 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.72 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.4 mp0 -133.07 123.35 25.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.972 ' CE3' HD12 ' A' ' 44' ' ' ILE . 9.5 t90 -135.29 154.74 51.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 107.997 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.598 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.06 173.83 5.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 111.084 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.16 121.49 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 0.731 . . . . 0.0 110.391 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.69 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 4.4 t80 . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.504 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 17.0 t80 -78.19 101.74 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.428 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.1 OUTLIER -133.56 118.32 18.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.995 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 mt -110.93 135.09 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.61 111.16 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.2 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.38 163.32 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -87.5 -25.67 23.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.84 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 8.4 m-80 -118.71 138.55 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 10.0 m-85 -132.81 141.86 48.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.673 ' CE1' HD23 ' A' ' 61' ' ' LEU . 25.7 m-85 -120.4 123.57 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.64 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.6 mm? -106.0 132.19 52.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -120.64 121.49 38.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.646 ' OH ' HD12 ' A' ' 60' ' ' ILE . 9.5 m-85 -109.01 101.75 45.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.06 135.59 19.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.4 tttt 39.47 53.61 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.7 t -112.45 123.38 50.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 108.317 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.62 13.38 8.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.21 134.91 47.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.422 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -86.56 162.51 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -69.81 -28.19 65.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.357 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -47.64 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.422 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.3 m120 -67.57 -43.83 79.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.75 -35.87 79.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.659 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.3 tm? -69.34 -41.5 76.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -44.67 75.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 32.2 mt-30 -68.47 -48.12 65.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.482 HG21 HD11 ' A' ' 62' ' ' ILE . 3.4 mm -62.69 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.659 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.2 m -62.88 -38.77 92.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -81.87 -7.06 59.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -74.61 118.28 17.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.923 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.58 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.76 161.88 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.571 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.9 OUTLIER -148.16 153.59 41.51 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.534 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 -2.85 13.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.527 1.804 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.63 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -115.26 -105.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.467 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.63 ' H ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -170.6 136.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.51 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 5.9 mtpp -90.39 119.23 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.381 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -96.61 -82.92 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.461 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 53.7 t80 -103.02 153.11 20.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.649 HG12 HG23 ' A' ' 62' ' ' ILE . 88.7 mt -143.61 116.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HE2' ' CG2' ' A' ' 110' ' ' VAL . 0.0 OUTLIER -119.18 126.21 51.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.448 HG22 ' HB3' ' A' ' 25' ' ' LYS . 34.1 mt -128.81 114.47 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.417 ' SG ' HG11 ' A' ' 110' ' ' VAL . 40.1 t -125.77 138.45 53.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 108.345 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.443 ' HG3' HD22 ' A' ' 58' ' ' LEU . 3.9 ttp-105 -103.19 141.63 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -149.06 133.71 17.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 7.9 mp -98.65 135.18 40.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -81.6 157.72 24.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.544 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.41 -5.45 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -81.16 -1.32 44.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.371 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.42 90.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.03 133.67 24.9 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.531 0.783 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.441 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.99 123.27 7.76 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.417 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 4.2 t-80 -115.85 155.3 28.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.787 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -132.36 135.34 46.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.787 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -113.32 143.06 45.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.58 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.646 HD12 ' OH ' ' A' ' 18' ' ' TYR . 34.4 mt -142.49 137.07 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.673 HD23 ' CE1' ' A' ' 15' ' ' PHE . 1.8 tm? -138.68 109.78 6.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.649 HG23 HG12 ' A' ' 44' ' ' ILE . 5.2 mt -120.05 148.46 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.461 ' CG ' ' HB3' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -137.21 116.82 12.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -90.4 155.96 18.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -33.4 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.42 158.07 16.21 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -59.34 112.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.416 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 3.7 t80 -88.3 139.26 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.47 109.58 21.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.618 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.2 t -106.75 69.86 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.353 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.428 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.8 t -96.26 31.57 2.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -162.55 126.96 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.243 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.743 ' HA ' HD11 ' A' ' 91' ' ' ILE . 3.4 pt20 -88.16 36.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -116.18 -14.0 11.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.308 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.58 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.4 t80 -77.31 -40.38 44.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.64 ' CE1' HD21 ' A' ' 16' ' ' LEU . 27.9 m-85 -90.18 14.05 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.934 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.467 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 66.0 m-20 -65.84 106.23 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.505 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -109.03 136.56 48.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.9 m -123.47 163.93 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 6.0 t -85.9 119.37 71.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -4.4 15.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.426 1.75 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.06 -20.3 12.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.2 ttm180 -133.41 143.7 49.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.25 54.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.01 134.69 48.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -102.01 146.76 27.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.661 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.5 m-85 -126.43 132.34 51.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.67 101.11 50.38 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 109.596 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.579 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 161.95 37.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.39 123.62 32.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.743 HD11 ' HA ' ' A' ' 73' ' ' GLN . 9.7 mt -87.19 129.14 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -135.24 132.72 38.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.87 113.39 4.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.84 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.56 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 19.4 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -46.17 84.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.5 m -58.34 -41.75 85.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.503 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 9.1 t80 -70.17 -35.7 74.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 100' ' ' VAL . 70.4 mt -66.32 -25.53 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -78.71 -29.71 45.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -72.31 58.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -82.72 -179.91 7.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 140.17 99.42 0.41 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 8.8 m-20 63.37 33.89 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.481 ' CG2' ' HE2' ' A' ' 45' ' ' LYS . 2.6 m -117.3 167.94 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.0 tt -104.29 136.17 44.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.211 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.753 ' N ' HD23 ' A' ' 111' ' ' LEU . 13.7 tt0 -121.43 133.58 55.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.677 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.0 t90 -141.47 153.67 45.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.677 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 57.11 -179.42 0.72 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.02 131.59 53.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 110.406 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.56 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 32.2 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 11.2 t80 -79.0 103.1 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.92 109.82 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 7' ' ' PHE . 39.4 mt -102.51 133.51 46.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.69 110.47 9.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.32 163.64 27.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -23.89 23.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.798 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.3 m-80 -114.56 136.2 53.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -133.17 133.49 42.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 35.3 m-85 -119.6 126.19 50.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.596 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.7 mm? -104.72 131.6 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.434 HG23 ' NE2' ' A' ' 57' ' ' HIS . 20.7 m -119.54 131.42 55.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.804 ' OH ' HD12 ' A' ' 60' ' ' ILE . 2.1 m-85 -123.35 103.51 35.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.91 134.61 18.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 39.63 58.19 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -112.02 124.66 52.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.143 . . . . 0.0 108.354 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -86.18 10.48 14.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 tp -71.21 134.47 46.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.651 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.0 p -86.89 161.97 17.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.365 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.34 -28.83 66.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.18 -47.62 73.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.651 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.9 m120 -68.29 -44.07 76.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 32' ' ' ILE . . . -67.42 -35.95 80.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.732 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.3 tm? -67.91 -47.69 68.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -44.05 91.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.427 ' CD ' HD23 ' A' ' 78' ' ' LEU . 51.5 mt-30 -65.09 -36.25 83.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.717 HD13 ' CD2' ' A' ' 35' ' ' LEU . 6.1 mm -65.43 -33.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.507 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.77 -41.06 92.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.439 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -74.32 -12.37 60.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.717 ' CD2' HD13 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -73.49 115.14 12.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.63 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -87.08 161.95 17.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.529 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.54 155.87 45.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.02 -6.26 17.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.549 1.815 . . . . 0.0 110.95 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.613 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -111.93 -107.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.613 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t30 -170.69 143.92 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.635 ' HZ1' HG21 ' A' ' 62' ' ' ILE . 8.5 mtpp -91.09 118.36 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.512 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.1 tp -91.25 -63.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 61.5 t80 -137.23 161.14 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.708 HD12 ' CE3' ' A' ' 113' ' ' TRP . 39.1 mt -136.31 135.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -128.41 108.07 10.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.732 HD12 ' HB2' ' A' ' 29' ' ' LEU . 50.2 mt -114.49 115.02 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 m -124.97 138.83 54.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 4.1 ttt85 -96.93 144.17 27.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.752 ' C ' HD12 ' A' ' 50' ' ' LEU . 25.0 tp10 -145.91 139.38 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.752 HD12 ' C ' ' A' ' 49' ' ' GLU . 7.5 mp -125.22 135.85 52.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -91.34 158.11 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.96 -4.89 18.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -80.09 -2.32 43.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.66 6.7 89.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 6.5 pt-20 -95.93 122.8 57.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.441 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.01 124.84 8.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 7.1 t-80 -116.18 153.66 31.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.859 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -132.59 140.38 48.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.859 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -124.25 137.3 54.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.804 HD12 ' OH ' ' A' ' 18' ' ' TYR . 65.7 mt -135.23 139.85 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.083 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.614 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -138.48 111.02 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.635 HG21 ' HZ1' ' A' ' 41' ' ' LYS . 8.5 mt -117.33 146.62 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.57 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -131.57 119.17 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.353 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 56.0 m-85 -93.76 156.82 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.512 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.97 -33.68 74.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.08 163.15 21.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.159 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -59.43 119.33 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.534 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 5.0 t80 -97.48 142.47 29.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.422 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -102.78 115.72 31.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.509 ' SG ' HD13 ' A' ' 91' ' ' ILE . 12.7 t -111.98 69.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.7 OUTLIER -93.18 29.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -164.6 115.92 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.824 ' HG2' HD12 ' A' ' 91' ' ' ILE . 2.8 mt-30 -82.03 48.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -119.98 -18.48 8.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.938 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.4 t80 -76.88 -38.75 53.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' HD21 ' A' ' 16' ' ' LEU . 22.0 m-85 -88.77 13.17 13.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.417 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.9 m-20 -66.66 109.2 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.427 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -110.15 137.76 47.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 m -122.91 164.22 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 8.1 t -85.55 118.4 70.6 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -1.91 11.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.434 1.755 . . . . 0.0 111.017 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.1 p -114.25 -20.67 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.1 OUTLIER -133.63 144.41 49.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.3 t -77.07 55.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.067 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.35 136.62 50.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -102.09 147.59 26.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.638 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.0 m-85 -126.31 131.52 51.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.76 101.51 44.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.505 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.0 157.82 42.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.394 1.734 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -87.5 126.56 34.98 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.824 HD12 ' HG2' ' A' ' 73' ' ' GLN . 5.7 mt -94.71 120.19 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -135.58 132.46 37.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.71 128.14 9.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.798 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.561 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 22.0 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.52 -39.68 88.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -46.68 84.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 1.3 t80 -70.77 -32.96 70.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.8 mt -60.61 -29.32 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.569 1.168 . . . . 0.0 109.349 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.15 -25.11 62.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -74.01 67.94 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -83.06 -175.79 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.43 69.53 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 72.6 74.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.85 164.98 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.812 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.5 tt -105.08 138.95 40.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.812 ' N ' HD23 ' A' ' 111' ' ' LEU . 15.6 tt0 -122.62 132.79 54.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.708 ' CE3' HD12 ' A' ' 44' ' ' ILE . 30.5 t90 -139.57 149.47 43.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.429 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 68.4 -179.13 21.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.1 m -123.3 116.45 23.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 0.707 . . . . 0.0 110.421 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 63' ' ' GLN . 4.6 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 10.9 t80 -79.01 102.4 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -132.6 114.42 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.53 HD11 ' CE1' ' A' ' 7' ' ' PHE . 29.3 mt -103.89 134.16 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 111.84 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.42 27.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -82.82 -35.62 26.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.69 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.7 m-80 -113.04 138.98 49.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -130.33 142.18 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.602 ' CE1' HD23 ' A' ' 61' ' ' LEU . 6.7 m-85 -120.51 126.92 51.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.0 mm? -103.52 130.61 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 m -118.77 117.22 28.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.587 ' OH ' HD12 ' A' ' 60' ' ' ILE . 6.8 m-85 -110.2 99.18 38.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.9 144.59 30.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 7.9 mttt 39.06 35.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.1 t -100.72 117.02 33.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 108.39 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -87.25 15.22 6.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 tp -67.29 138.42 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.554 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.3 p -86.51 162.99 17.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.65 -28.4 64.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.454 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -66.45 -47.61 72.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.931 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.554 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.4 m120 -67.23 -43.98 80.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.87 -33.88 74.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.666 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.3 tm? -69.11 -44.36 72.59 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 37.4 t -67.87 -45.56 74.18 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.525 1.141 . . . . 0.0 109.955 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' HD13 ' A' ' 35' ' ' LEU . 33.5 mt-30 -65.26 -47.63 76.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.9 mm -65.12 -46.14 92.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.604 ' OG1' HD22 ' A' ' 29' ' ' LEU . 55.2 m -62.42 -36.27 81.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.385 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 30' ' ' SER . 22.5 m120 -80.15 -12.71 59.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.191 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.26 115.91 14.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.517 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.24 161.87 27.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.933 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.734 ' OG1' HG22 ' A' ' 39' ' ' THR . 1.3 t -148.06 152.14 39.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.07 -1.46 11.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.734 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.1 OUTLIER -111.63 -107.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.391 1.057 . . . . 0.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.623 ' H ' HG23 ' A' ' 39' ' ' THR . 0.4 OUTLIER -171.62 129.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HG3' HG21 ' A' ' 37' ' ' THR . 8.1 mtpp -87.86 119.57 28.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.545 HD11 ' N ' ' A' ' 65' ' ' GLU . 5.8 mp -94.47 -88.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 112' ' ' GLU . 44.0 t80 -103.09 155.88 18.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 112' ' ' GLU . 80.2 mt -142.12 115.33 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -115.9 128.61 55.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 29' ' ' LEU . 39.2 mt -126.92 116.18 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.79 139.8 53.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.559 ' HD3' HD23 ' A' ' 58' ' ' LEU . 12.9 ttp180 -96.78 140.56 31.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 57' ' ' HIS . 22.1 tt0 -131.2 132.03 44.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -100.03 135.84 40.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 24.5 m170 -88.43 155.97 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.632 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -6.77 51.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -87.54 -1.36 57.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.2 6.16 81.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 12.4 pt-20 -96.3 131.26 28.94 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.53 31.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.454 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 4.6 t-80 -139.24 146.78 40.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.534 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.907 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -124.57 143.49 50.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.907 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -123.49 148.28 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.677 179.916 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.587 HD12 ' OH ' ' A' ' 18' ' ' TYR . 4.4 mt -141.24 142.51 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.602 HD23 ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -139.24 111.79 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.524 ' N ' HD22 ' A' ' 61' ' ' LEU . 4.3 mt -115.47 154.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.574 ' OE1' ' CE1' ' A' ' 116' ' ' PHE . 3.3 tt0 -130.72 116.05 17.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.465 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 72.9 m-85 -93.06 149.84 20.94 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.465 1.103 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.545 ' N ' HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.88 -34.56 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.92 168.7 22.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -58.65 106.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.521 ' HB2' HG21 ' A' ' 39' ' ' THR . 12.9 t80 -87.23 138.94 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.552 HD22 ' N ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -97.17 127.76 43.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.693 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.4 t -126.03 68.66 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.3 t -93.66 29.02 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -153.98 125.42 7.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.538 ' HA ' HD11 ' A' ' 91' ' ' ILE . 2.2 pt20 -89.26 31.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.47 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 9.0 mtm180 -118.67 -11.87 9.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.2 t80 -77.88 -21.65 50.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.568 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 30.2 m-85 -113.12 13.9 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.47 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.7 m-20 -66.15 105.07 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.583 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -104.05 136.76 43.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.468 HG12 ' CG ' ' A' ' 86' ' ' HIS . 4.0 m -120.69 163.7 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.4 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.9 t -85.93 119.16 71.64 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -2.76 12.95 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.3 p -112.29 -20.78 11.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.8 143.6 48.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -76.15 56.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.64 141.35 50.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.179 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.468 ' CG ' HG12 ' A' ' 79' ' ' VAL . 28.4 m170 -108.52 148.27 30.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.54 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 18.1 m-85 -126.19 133.27 51.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.86 101.04 42.52 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.587 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 165.87 30.36 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.55 125.41 40.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.693 HG21 ' SG ' ' A' ' 70' ' ' CYS . 11.1 mt -93.7 122.02 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.4 133.3 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.247 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.08 119.82 5.55 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.69 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.544 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.5 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -40.61 97.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -49.76 75.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.62 -34.28 77.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 54.0 mt -63.89 -41.35 92.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.397 1.061 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.76 -29.04 68.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.13 74.93 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.431 ' HA ' HG11 ' A' ' 110' ' ' VAL . 32.9 m-20 -82.39 178.11 8.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 133.03 98.18 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 58.6 m-20 63.45 36.09 11.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.551 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -120.62 167.04 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 112' ' ' GLU . 1.1 tt -128.7 115.74 18.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.638 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -106.49 144.72 32.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.561 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.8 t90 -137.8 146.25 43.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.561 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 68.91 -167.15 46.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.15 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.5 m -126.37 128.58 47.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CE1' ' OE1' ' A' ' 63' ' ' GLN . 43.5 t80 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.39 -176.2 35.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -129.89 158.02 40.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 10.7 t80 -74.03 103.05 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.06 109.69 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 7' ' ' PHE . 56.9 mt -107.45 135.97 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.46 110.86 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.68 27.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -23.01 24.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.957 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.9 m-80 -114.88 135.79 53.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.8 m-85 -133.57 135.57 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 49.5 m-85 -120.37 126.91 51.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.8 mm? -105.24 135.09 47.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.619 HG23 ' NE2' ' A' ' 57' ' ' HIS . 10.3 m -123.44 123.42 40.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.65 ' OH ' HD12 ' A' ' 60' ' ' ILE . 4.0 m-85 -117.02 102.33 52.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.04 139.98 24.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER 39.21 48.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.9 t -106.49 119.6 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 108.313 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.61 13.97 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.461 HD21 HD22 ' A' ' 78' ' ' LEU . 21.1 tp -70.97 135.42 47.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.634 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.1 p -84.57 162.97 19.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.17 -28.9 65.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.12 -48.08 72.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.634 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.6 m120 -65.68 -44.06 87.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.97 -33.57 73.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.59 ' HB2' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -69.08 -43.3 74.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 51.1 m -68.24 -45.83 72.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.643 ' O ' HD13 ' A' ' 35' ' ' LEU . 34.2 mt-30 -65.77 -46.85 77.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 7.8 mm -64.81 -45.47 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.563 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.8 m -63.66 -36.27 83.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.1 m120 -82.33 -10.25 59.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.45 118.74 17.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.629 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.1 pt20 -79.22 162.67 25.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.488 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.11 158.08 45.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.02 -7.12 18.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.595 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.2 -107.26 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.42 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.595 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.1 t30 -168.52 139.84 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HG3' HG21 ' A' ' 37' ' ' THR . 8.2 mtpp -91.06 121.82 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.493 HD23 ' HG2' ' A' ' 117' ' ' GLN . 1.0 OUTLIER -98.95 -86.0 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -103.15 155.28 18.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.779 HD12 ' CE3' ' A' ' 113' ' ' TRP . 95.9 mt -140.78 123.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -122.89 117.25 25.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.59 HD12 ' HB2' ' A' ' 29' ' ' LEU . 57.1 mt -119.81 116.42 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 t -128.35 138.68 52.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 108.321 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.654 ' HA ' HD22 ' A' ' 58' ' ' LEU . 9.1 ttm180 -96.95 143.16 28.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 57' ' ' HIS . 32.8 tt0 -146.26 132.27 19.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 10.2 mp -98.99 135.63 40.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.492 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 63.0 m170 -80.8 156.28 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -6.99 31.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.14 -1.48 53.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.99 5.17 86.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -96.1 132.53 26.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 0.762 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.03 122.91 7.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.619 ' NE2' HG23 ' A' ' 17' ' ' THR . 4.2 t-80 -115.75 154.42 29.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.94 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.4 tm? -127.77 142.43 51.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.94 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -120.75 141.08 50.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.616 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.65 HD12 ' OH ' ' A' ' 18' ' ' TYR . 40.9 mt -139.75 138.54 38.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.42 111.06 7.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.44 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.1 mt -118.51 151.0 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.557 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.79 116.69 14.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 47.7 m-85 -91.01 156.56 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -33.65 74.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.56 159.11 20.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -58.64 117.8 4.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.562 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.3 t80 -96.03 140.62 30.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.44 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.09 107.64 20.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.712 ' SG ' HG21 ' A' ' 91' ' ' ILE . 39.2 t -100.62 67.04 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.411 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.4 t -95.7 30.72 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.468 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -160.97 119.3 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -89.48 38.08 0.89 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.427 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.5 mtt-85 -115.7 -17.65 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.629 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.7 t80 -76.99 -39.84 48.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 34.2 m-85 -87.98 12.44 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.427 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.2 m-20 -67.2 108.42 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -106.02 136.71 45.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.537 HG12 ' CG ' ' A' ' 86' ' ' HIS . 5.8 m -123.59 164.19 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' ARG . 29.3 t -85.52 118.59 70.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -3.2 13.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.1 p -113.2 -20.77 11.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 47.5 ttt180 -133.6 144.33 49.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.1 t -76.34 57.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.53 136.16 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.537 ' CG ' HG12 ' A' ' 79' ' ' VAL . 26.5 m170 -107.4 147.86 29.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -126.09 135.92 52.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.32 100.38 40.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 156.11 42.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -95.68 120.03 35.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.712 HG21 ' SG ' ' A' ' 70' ' ' CYS . 1.1 mt -84.94 133.51 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -135.15 133.29 39.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.76 122.98 7.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.957 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -77.24 113.36 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -5.86 38.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.461 ' HB3' ' CB ' ' A' ' 99' ' ' ASP . 3.2 m -96.18 176.45 6.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.719 ' O ' HG22 ' A' ' 100' ' ' VAL . 36.0 t -128.3 -65.03 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -80.2 -26.03 39.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 96' ' ' SER . 11.2 t70 -47.0 -24.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 97' ' ' SER . 22.0 m -67.65 -36.62 76.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -66.31 -38.74 88.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.7 m -57.5 -47.14 82.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -71.34 -33.63 69.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 27.7 mt -59.61 -33.37 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.65 -30.2 70.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -74.87 73.37 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.02 -176.82 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.91 96.81 0.54 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.81 70.1 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.483 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -140.84 164.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 5.8 tt -104.87 125.21 50.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.402 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.6 OUTLIER -106.85 124.22 49.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.779 ' CE3' HD12 ' A' ' 44' ' ' ILE . 10.7 t90 -138.48 142.9 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.55 175.19 17.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -123.63 124.43 42.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.594 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.6 t80 -79.76 150.12 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.493 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -150.13 116.6 5.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.3 mt -82.34 113.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.03 110.41 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 92.96 165.89 38.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.312 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.92 158.36 29.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -129.78 137.15 50.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.536 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 9.7 t80 -78.69 102.36 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.88 109.83 9.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 109.947 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.1 mt -101.49 133.81 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.12 111.15 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.39 28.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -85.35 -27.08 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.718 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 25.9 m-80 -117.46 143.99 45.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.7 m-85 -132.99 141.71 48.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 24.9 m-85 -120.36 122.56 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.5 mm? -104.17 129.39 51.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -120.08 122.59 41.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.944 ' OH ' HD12 ' A' ' 60' ' ' ILE . 2.8 m-85 -114.83 103.45 54.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.0 137.3 21.53 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.449 1.763 . . . . 0.0 111.02 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 38.45 42.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 9.1 t -96.62 120.95 37.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.63 13.19 9.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 15.2 tp -71.05 135.07 47.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.506 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.0 p -84.24 161.5 20.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.43 -28.81 66.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -47.63 74.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.506 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.4 m120 -67.09 -43.41 82.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.376 1.047 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.42 -35.78 78.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.614 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.1 tm? -69.27 -41.45 76.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.42 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -68.35 -45.6 72.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.059 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.589 ' O ' HD13 ' A' ' 35' ' ' LEU . 36.6 mt-30 -67.33 -47.94 69.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.565 HG21 HD11 ' A' ' 62' ' ' ILE . 8.5 mm -62.8 -45.58 98.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.614 ' OG1' HD22 ' A' ' 29' ' ' LEU . 53.4 m -64.69 -38.96 92.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.1 m120 -80.45 -9.84 59.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.372 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.589 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -73.78 118.1 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.615 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.96 162.89 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.711 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -147.23 160.31 39.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.98 -25.66 11.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.672 HG21 ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -96.73 -100.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.387 1.055 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.629 ' H ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -174.38 140.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.711 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.5 mtpp -91.17 122.52 33.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -97.19 -85.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 49.3 t80 -103.27 157.3 17.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.619 HD12 ' CE3' ' A' ' 113' ' ' TRP . 95.3 mt -142.39 116.32 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -112.45 127.85 56.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 89.0 mt -128.53 115.58 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.5 t -128.75 138.49 52.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 108.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -99.68 143.31 30.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 8.5 tp10 -145.67 134.77 22.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.7 mm? -98.2 134.48 41.18 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.478 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 39.8 m170 -83.25 153.15 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.567 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.06 -6.87 48.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.403 1.064 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -83.64 1.53 41.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 1.02 89.56 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 18.4 pt-20 -96.68 136.32 21.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 110.345 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.773 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.98 125.93 9.65 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.507 1.793 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.478 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 6.0 t-80 -111.48 155.16 23.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -133.98 137.87 45.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.845 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -121.01 140.81 51.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.645 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.944 HD12 ' OH ' ' A' ' 18' ' ' TYR . 40.0 mt -142.42 139.31 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.3 110.56 7.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.565 HD11 HG21 ' A' ' 32' ' ' ILE . 7.5 mt -117.68 149.03 20.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.86 118.26 15.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.271 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -90.77 157.78 17.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.516 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -59.75 -33.6 71.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.39 1.056 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.85 160.76 22.42 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -59.01 110.91 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.777 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.672 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.0 t80 -88.55 141.56 28.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.452 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.65 117.95 35.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.535 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.2 t -116.23 69.84 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.447 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.1 t -92.71 29.79 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -163.4 120.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.589 ' HA ' HD11 ' A' ' 91' ' ' ILE . 1.1 mt-30 -86.85 43.9 1.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 3.8 mtt180 -116.39 -17.97 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.615 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.97 -40.09 48.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.3 m-85 -87.85 12.92 11.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.429 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.2 m-20 -66.84 105.69 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -104.44 136.73 43.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.536 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.0 m -124.3 164.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.2 t -84.92 118.83 71.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.821 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.6 p -112.23 -21.12 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.88 144.8 49.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.248 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -76.55 56.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.09 134.3 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 21.0 m170 -105.81 145.61 30.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -126.39 134.87 50.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.18 101.64 48.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.549 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.06 159.38 41.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.39 123.88 32.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.589 HD11 ' HA ' ' A' ' 73' ' ' GLN . 19.9 mt -91.15 126.6 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.3 mm-40 -135.39 132.99 38.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.54 114.18 4.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.544 1.153 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.718 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.28 113.58 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -61.02 -149.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.545 ' O ' ' CB ' ' A' ' 97' ' ' SER . 95.0 p -89.73 142.5 27.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.7 OUTLIER 155.26 145.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 p -80.51 -6.67 58.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.95 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -45.17 -26.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.543 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 18.5 m -67.55 -42.01 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -61.02 -39.58 90.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -48.79 78.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.19 -34.6 77.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.456 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 29.5 mt -66.37 -39.48 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.64 -25.41 64.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -74.74 68.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.92 177.8 8.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.76 95.58 0.42 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 61.06 34.32 19.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 0.815 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.31 165.66 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 112' ' ' GLU . 10.3 tt -105.1 146.62 28.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.466 ' N ' HD23 ' A' ' 111' ' ' LEU . 11.5 tt0 -128.48 127.8 43.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.651 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.5 t90 -140.16 153.42 46.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.651 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.56 177.07 10.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -123.53 118.74 28.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 0.714 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.543 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 5.0 t80 -79.77 148.61 31.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.484 ' HG2' HD23 ' A' ' 42' ' ' LEU . 50.9 mm-40 -95.08 74.23 3.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 110.341 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.49 HG13 ' CD1' ' A' ' 116' ' ' PHE . 31.8 mt -79.25 112.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.5 142.88 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.75 135.44 3.72 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.122 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.536 0.786 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.95 -179.46 26.46 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.597 1.185 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.01 152.8 50.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.459 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 26.3 t80 -74.08 102.3 4.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.403 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -132.99 115.74 15.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.8 mt -109.26 134.83 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.08 112.48 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.09 163.56 28.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.89 -32.42 25.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.83 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.7 m-80 -114.16 144.8 42.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 7.0 m-85 -133.65 140.86 47.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 111.075 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.626 ' CD2' ' HB2' ' A' ' 94' ' ' ALA . 18.8 m-85 -120.73 122.4 40.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.5 mm? -104.97 139.96 38.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.644 HG23 ' NE2' ' A' ' 57' ' ' HIS . 14.1 m -127.62 119.06 25.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.714 ' OH ' HD12 ' A' ' 60' ' ' ILE . 16.4 m-85 -107.76 101.09 38.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.0 135.57 19.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 39.17 50.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.345 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.2 t -108.15 123.26 48.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.362 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.73 13.83 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 23' ' ' LEU . 15.0 tp -71.11 134.58 47.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.594 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.2 p -85.49 162.57 18.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 110.45 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.31 -29.19 65.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.5 -47.88 74.49 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 110.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.594 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -66.5 -44.51 82.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.489 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.47 -34.6 77.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD13 ' C ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -69.38 -41.84 75.98 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -68.93 -45.07 71.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 110.045 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.531 ' NE2' HD23 ' A' ' 78' ' ' LEU . 7.2 mt-30 -67.69 -47.96 67.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.489 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 4.3 mm -62.74 -46.37 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.528 ' OG1' HD22 ' A' ' 29' ' ' LEU . 53.5 m -63.87 -35.27 80.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.466 HD22 ' N ' ' A' ' 34' ' ' ASN . 1.6 m-80 -83.92 -8.62 59.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.467 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -74.54 118.35 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 1.4 mt-30 -73.56 163.11 28.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.846 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -147.2 158.01 45.03 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 110.444 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.04 -25.53 11.72 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.783 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.17 -101.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.595 ' H ' HG23 ' A' ' 39' ' ' THR . 0.6 OUTLIER -171.26 135.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.846 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.5 mtpp -86.64 119.83 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.37 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.9 -86.05 0.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.46 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 54.8 t80 -103.7 155.77 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.9 mt -137.75 116.21 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.562 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -112.36 126.68 55.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 78.1 mt -129.1 114.82 33.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.437 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 15.2 t -126.92 139.39 53.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HA ' HD22 ' A' ' 58' ' ' LEU . 9.6 ttm180 -97.07 142.35 29.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 26.4 tt0 -140.06 134.0 30.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.71 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.9 mm? -98.42 132.95 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.6 1.188 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.423 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 37.2 m170 -82.68 153.77 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 109.643 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.14 -6.78 47.96 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -85.97 -1.55 57.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.02 4.37 81.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 19.1 pt-20 -96.4 133.56 24.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.71 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.99 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.644 ' NE2' HG23 ' A' ' 17' ' ' THR . 4.4 t-80 -112.45 155.1 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.415 1.072 . . . . 0.0 109.583 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -131.77 137.83 48.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.854 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -116.04 144.91 43.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.566 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.714 HD12 ' OH ' ' A' ' 18' ' ' TYR . 51.9 mt -142.49 135.89 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.82 110.39 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.477 ' N ' HD22 ' A' ' 61' ' ' LEU . 1.9 mt -118.47 151.92 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.567 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.06 114.93 12.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.507 ' CE2' ' HG2' ' A' ' 41' ' ' LYS . 35.3 m-85 -91.08 156.83 17.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -33.66 74.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.2 157.29 18.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.127 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -59.76 115.62 3.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.53 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.8 t80 -91.54 140.31 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.511 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.49 118.17 34.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.619 1.2 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.3 t -115.73 70.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.403 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.4 t -94.43 31.56 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.424 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -161.54 128.66 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.755 ' HA ' HD11 ' A' ' 91' ' ' ILE . 7.0 mt-30 -88.81 33.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.464 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -116.52 -12.51 10.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.0 t80 -77.42 -27.77 52.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 16' ' ' LEU . 32.6 m-85 -104.5 13.55 31.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.464 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 65.7 m-20 -66.2 105.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.531 HD23 ' NE2' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -106.18 136.94 45.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.488 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 3.5 m -122.19 164.74 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' ARG . 34.8 t -85.08 119.25 72.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.949 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -3.18 13.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.6 p -114.0 -20.77 10.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.9 ttm180 -133.69 145.27 49.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.03 54.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.77 135.59 51.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.488 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 25.6 m170 -105.66 146.8 29.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -126.37 134.18 51.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -112.84 99.51 48.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.507 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.5 Cg_endo -74.86 162.31 37.61 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.472 1.775 . . . . 0.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -91.81 123.15 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 73' ' ' GLN . 7.4 mt -85.43 132.86 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -135.25 133.03 38.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.346 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.7 114.52 4.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.83 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.25 113.36 22.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -155.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.538 ' O ' ' CB ' ' A' ' 97' ' ' SER . 8.4 t -89.69 142.95 27.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 155.38 142.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.7 m -79.28 -7.03 57.98 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 110.0 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -44.99 -26.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.513 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.5 m -67.95 -43.68 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.555 ' HG3' HD11 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -62.08 -43.5 98.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -57.6 -48.5 79.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.158 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 26.8 t80 -66.16 -36.03 82.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 111.046 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.568 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 58.8 mt -65.13 -37.49 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -30.56 68.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -75.0 72.54 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -82.99 172.19 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.426 ' O ' HG13 ' A' ' 110' ' ' VAL . . . 152.65 95.14 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 61.34 33.06 19.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 0.76 . . . . 0.0 109.237 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 108' ' ' GLY . 1.2 m -119.36 166.34 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.752 HD23 ' N ' ' A' ' 112' ' ' GLU . 6.2 tt -104.88 147.4 27.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.373 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.752 ' N ' HD23 ' A' ' 111' ' ' LEU . 33.3 mt-10 -133.73 130.71 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.676 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 11.3 t90 -138.83 152.75 48.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 108.048 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.676 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.22 179.78 10.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -123.38 121.08 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 6.2 t80 -79.71 146.37 32.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.3 OUTLIER -148.65 124.15 10.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.555 HD11 ' HG3' ' A' ' 101' ' ' LYS . 3.3 mp -79.58 135.84 24.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -74.71 166.83 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.25 -90.12 0.1 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.565 0.803 . . . . 0.0 110.342 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.79 146.28 11.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.03 157.76 43.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 0.755 . . . . 0.0 110.276 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.548 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 9.4 t80 -79.2 102.33 8.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.418 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.82 115.83 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.938 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.447 HD11 ' CE1' ' A' ' 7' ' ' PHE . 27.1 mt -108.32 131.95 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.85 111.19 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.65 27.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -33.25 27.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.694 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.9 m-80 -114.43 141.22 47.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.462 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 7.2 m-85 -128.02 142.87 51.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.592 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 29.6 m-85 -120.19 121.45 38.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.794 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.4 mm? -104.48 129.62 52.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.586 HG23 ' NE2' ' A' ' 57' ' ' HIS . 24.3 m -122.2 124.48 43.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.505 ' CE2' HD13 ' A' ' 78' ' ' LEU . 9.4 m-85 -113.1 102.14 54.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.53 19.2 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 tttm 39.96 53.1 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.2 t -113.6 125.8 54.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.323 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.15 15.19 6.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 tp -70.89 134.16 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.692 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -87.13 162.82 17.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 8.2 pttt -70.63 -29.33 65.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -48.11 72.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.692 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.2 m120 -65.75 -44.05 87.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.02 -33.23 73.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.599 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.8 OUTLIER -69.01 -42.27 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.403 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 9.0 t -68.44 -45.57 72.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.585 ' O ' HD13 ' A' ' 35' ' ' LEU . 13.3 mt-30 -66.4 -47.55 72.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.107 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.419 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.9 mm -63.91 -45.25 97.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.599 ' HG1' HD22 ' A' ' 29' ' ' LEU . 43.4 m -63.67 -37.74 88.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.9 m120 -82.94 -7.1 59.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -74.43 119.54 18.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.0 mt-30 -82.25 161.19 22.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.612 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -148.82 156.43 41.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.493 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.461 1.769 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.612 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -116.26 -108.02 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.438 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.602 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t30 -173.16 140.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 8.3 mttp -89.85 118.89 29.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.614 HD23 ' HB2' ' A' ' 117' ' ' GLN . 0.8 OUTLIER -90.93 -54.8 3.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.405 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 44.7 t80 -137.52 156.43 48.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD12 ' CE3' ' A' ' 113' ' ' TRP . 77.3 mt -140.0 117.19 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' CE ' HG21 ' A' ' 110' ' ' VAL . 5.6 tptt -115.95 126.8 54.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 53.3 mt -128.7 115.99 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.8 t -129.24 138.47 51.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 108.346 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -98.4 143.28 29.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.673 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 8.1 tp10 -141.53 134.68 29.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.674 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.1 mm? -97.9 135.26 39.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.429 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 40.9 m170 -84.28 155.5 22.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.558 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.97 -6.8 49.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -86.66 0.06 55.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.81 5.01 86.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.429 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 21.4 pt-20 -96.25 132.67 26.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.674 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.0 Cg_endo -75.09 123.5 7.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.452 1.764 . . . . 0.0 110.947 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.673 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 3.6 t-80 -111.78 155.59 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.647 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.791 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -132.7 134.8 45.25 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.791 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -118.58 142.92 47.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.551 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.414 HG13 HD12 ' A' ' 58' ' ' LEU . 39.7 mt -142.73 140.5 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.592 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.25 110.69 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.484 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 4.6 mt -117.07 149.93 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.454 ' HG2' ' CD1' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.97 116.14 13.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 110.3 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 47.5 m-85 -91.91 156.08 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.56 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -61.64 -33.45 73.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.32 156.37 19.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -59.07 117.24 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.462 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 4.9 t80 -95.66 142.19 28.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.82 114.21 28.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.4 t -112.39 70.69 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 108.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.418 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.5 t -95.27 31.07 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 74' ' ' ARG . 29.1 t-20 -168.54 114.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.438 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -75.85 56.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.418 ' HG3' ' ND2' ' A' ' 72' ' ' ASN . 2.7 mmt85 -119.46 -29.05 5.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.8 t80 -74.07 -34.25 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.794 ' CE1' HD21 ' A' ' 16' ' ' LEU . 27.8 m-85 -91.96 12.47 21.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 73.0 m-20 -66.81 109.02 2.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.548 HD23 ' NE2' ' A' ' 31' ' ' GLN . 1.3 mt -111.84 136.83 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 m -123.76 164.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.2 t -85.75 118.94 71.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -4.52 15.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.8 p -111.15 -20.6 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 80' ' ' SER . 22.6 tpp180 -133.1 142.91 48.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.2 p -76.23 56.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.053 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.28 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -107.79 146.58 32.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.633 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.4 m-85 -126.36 133.27 51.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.53 102.97 53.39 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.176 . . . . 0.0 109.623 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.94 162.26 37.55 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.502 1.791 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -87.42 122.26 30.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.55 HG12 ' CD2' ' A' ' 76' ' ' PHE . 12.3 mt -90.64 126.28 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 3.1 tt0 -135.2 133.03 38.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.24 114.06 4.88 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.33 113.43 22.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -124.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.543 ' O ' ' CB ' ' A' ' 97' ' ' SER . 19.7 m -98.93 142.63 30.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.9 p 156.53 133.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.6 m -80.17 -6.42 57.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -44.59 -26.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 98' ' ' SER . 16.4 m -68.62 -45.55 81.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -64.22 -41.28 97.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 t -57.56 -46.77 83.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.497 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 1.4 t80 -70.13 -38.91 75.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.6 mt -59.49 -27.31 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.45 -39.73 24.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.707 ' CG ' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -74.83 73.4 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.408 ' HA ' HG11 ' A' ' 110' ' ' VAL . 3.3 p-10 -83.12 -163.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.36 99.16 1.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 61.28 39.56 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -119.22 163.47 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 110' ' ' VAL . 5.4 tt -105.43 125.14 50.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -110.24 128.01 55.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.597 1.186 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.495 ' CE3' HD12 ' A' ' 44' ' ' ILE . 11.4 t90 -140.86 133.18 28.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.937 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.25 -175.46 54.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.467 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -123.62 131.58 53.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 0.716 . . . . 0.0 110.385 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 63' ' ' GLN . 13.2 t80 -79.92 145.92 32.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 111.078 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.614 ' HB2' HD23 ' A' ' 42' ' ' LEU . 1.3 mt-30 -140.41 130.95 25.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.0 mt -96.74 117.51 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.77 122.92 21.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.09 -129.17 9.48 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.451 1.094 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.336 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.5 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.37 147.73 6.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.371 1.044 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -127.87 151.61 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.239 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.589 ' CE1' HD11 ' A' ' 9' ' ' ILE . 10.6 t80 -74.55 101.68 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.432 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -133.58 119.03 18.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.06 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 7' ' ' PHE . 37.6 mt -114.12 136.18 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 110.65 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.36 163.24 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -84.49 -26.35 28.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.88 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 6.2 m-80 -117.8 141.73 48.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 70' ' ' CYS . 4.6 m-85 -133.37 143.38 48.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 24.3 m-85 -119.77 125.0 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.4 mm? -104.86 133.51 49.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.577 HG23 ' NE2' ' A' ' 57' ' ' HIS . 11.4 m -121.07 117.94 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 15.6 m-85 -109.76 102.19 49.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -75.04 135.03 18.46 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER 39.71 52.31 2.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.8 t -109.99 123.39 49.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.267 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 14.57 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 tp -70.98 134.52 47.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.4 p -86.89 165.06 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' CB ' HG21 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -71.11 -29.03 64.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -65.34 -48.52 72.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.407 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 8.1 m120 -66.76 -43.81 83.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.83 -32.87 73.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.548 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.11 -44.63 72.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -43.42 74.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.561 ' O ' HD13 ' A' ' 35' ' ' LEU . 16.1 mt-30 -66.13 -48.1 71.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.425 HG21 HD11 ' A' ' 62' ' ' ILE . 16.8 mm -65.49 -45.28 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.548 ' OG1' HD22 ' A' ' 29' ' ' LEU . 51.1 m -63.66 -33.54 75.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.374 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -85.14 -9.82 57.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.3 118.67 17.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.065 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.602 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.0 tt0 -80.63 162.48 24.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.561 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.64 158.33 43.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.498 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.1 -5.22 16.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.591 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.9 -107.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.591 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.1 t30 -168.34 140.28 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.575 ' HZ2' HD11 ' A' ' 44' ' ' ILE . 4.7 mtpm? -90.87 121.25 32.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' HA3' ' A' ' 114' ' ' GLY . 1.1 tp -96.8 -87.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 66.9 t80 -104.97 163.33 12.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.575 HD11 ' HZ2' ' A' ' 41' ' ' LYS . 12.6 mt -141.23 128.7 21.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -121.35 108.49 13.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 25' ' ' LYS . 91.2 mt -113.2 115.44 49.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.137 . . . . 0.0 109.384 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -132.41 138.62 47.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 108.317 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -96.98 143.12 28.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -139.53 133.88 31.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.696 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.2 mm? -98.42 135.15 40.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 41.7 m170 -84.39 155.57 22.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 109.557 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.99 -6.91 51.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -86.11 0.63 53.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.84 4.33 87.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.399 1.062 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 22.1 pt-20 -96.31 133.68 24.61 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.696 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.99 123.38 7.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.577 ' NE2' HG23 ' A' ' 17' ' ' THR . 6.4 t-80 -111.99 153.25 27.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 0.0 109.602 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -128.92 137.31 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.835 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -119.89 141.85 49.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.477 HD11 ' HB1' ' A' ' 28' ' ' ALA . 45.2 mt -141.0 139.09 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.525 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -138.37 110.05 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.516 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.6 mt -115.93 151.07 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.44 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.74 116.68 14.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -91.38 156.41 17.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -33.66 74.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.59 155.44 17.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -58.91 114.33 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.545 ' HB2' HG21 ' A' ' 39' ' ' THR . 4.1 t80 -92.68 142.28 27.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.425 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -100.34 107.4 19.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.826 ' SG ' HG21 ' A' ' 91' ' ' ILE . 37.4 t -103.89 70.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.432 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 2.6 t -98.67 32.4 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -162.46 120.83 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.772 ' HG2' HD12 ' A' ' 91' ' ' ILE . 26.5 mt-30 -87.64 42.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -116.2 -21.32 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.241 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.6 t80 -76.54 -38.72 54.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.519 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 26.5 m-85 -87.94 12.66 12.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 72.6 m-20 -66.71 106.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.555 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.4 mt -109.3 136.91 47.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.35 163.48 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 8.5 t -86.65 116.68 66.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.975 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 1.74 7.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 p -108.66 -25.8 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.354 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 3.0 ptp180 -137.11 150.52 48.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.77 60.31 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.948 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.88 140.54 50.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -109.15 147.77 31.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.549 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 13.6 m-85 -126.17 132.95 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.14 100.18 48.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.93 159.23 41.85 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.1 122.22 31.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.826 HG21 ' SG ' ' A' ' 70' ' ' CYS . 19.9 mt -86.86 128.84 39.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 3.6 mt-30 -135.45 132.84 37.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.252 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.4 113.91 4.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.28 113.35 22.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -69.67 -133.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.563 ' O ' ' CB ' ' A' ' 97' ' ' SER . 52.6 p -93.39 142.54 27.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.952 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.0 OUTLIER 154.97 133.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 101' ' ' LYS . 84.3 p -79.8 -5.76 56.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.78 -26.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.509 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 12.8 m -67.61 -42.75 86.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -62.79 -48.08 80.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -57.99 -46.78 84.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -65.31 -33.8 76.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.2 mt -67.85 -32.34 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -70.9 -20.68 62.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -74.77 68.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.85 162.82 21.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 140.29 81.12 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.12 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 2.6 m-20 79.66 54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -141.03 168.28 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 112' ' ' GLU . 1.6 tt -130.29 115.75 17.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.065 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.567 ' N ' HD23 ' A' ' 111' ' ' LEU . 10.5 pm0 -110.0 145.88 36.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.655 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.6 t90 -129.9 153.22 48.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.008 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.655 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.91 -171.17 12.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 111.058 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.477 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.7 m -124.45 129.16 50.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.509 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 19.8 t80 -80.0 148.46 31.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.6 OUTLIER -149.64 130.62 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.391 1.057 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.5 mp -87.48 111.41 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.69 99.17 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.98 -123.9 0.68 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.11 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 121' ' ' ARG . 4.0 ptm85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.95 96.2 2.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 ttt85 -114.53 158.06 22.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 0.798 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' CE1' HD11 ' A' ' 9' ' ' ILE . 27.8 t80 -77.41 102.16 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.423 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -133.01 115.29 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.944 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.519 HD11 ' CE1' ' A' ' 7' ' ' PHE . 60.0 mt -108.65 131.89 58.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 111.99 10.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.23 163.57 28.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.87 -34.47 33.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.652 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.2 m-80 -114.17 147.88 38.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.4 m-85 -133.19 142.68 48.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 25.2 m-85 -120.4 121.78 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.1 mm? -104.29 129.33 52.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.567 HG23 ' NE2' ' A' ' 57' ' ' HIS . 28.0 m -122.1 118.24 28.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.54 ' CE2' HD13 ' A' ' 78' ' ' LEU . 15.0 m-85 -107.31 101.98 41.53 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.08 139.67 24.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 6.2 mtmt 39.89 47.05 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.402 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.9 t -110.53 121.0 44.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.227 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.61 15.62 6.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 tp -68.62 136.02 52.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.658 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.4 p -86.93 162.24 17.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 5.5 pttp -69.77 -29.07 66.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -47.59 75.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.271 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.658 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.9 m120 -68.03 -44.29 76.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -66.7 -36.2 81.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.64 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.6 tm? -69.13 -43.75 73.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -63.65 -44.67 93.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.549 ' O ' HD13 ' A' ' 35' ' ' LEU . 5.8 mt-30 -70.4 -44.94 66.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.436 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.8 mm -61.52 -45.38 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.64 ' HG1' HD22 ' A' ' 29' ' ' LEU . 35.7 m -63.88 -34.21 77.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.2 m120 -84.83 -8.78 58.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.41 118.81 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.616 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 36.9 mt-30 -83.55 162.27 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.499 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.59 157.33 44.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.0 -6.39 18.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.603 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.47 -106.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.427 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -171.03 143.33 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HE3' HD11 ' A' ' 44' ' ' ILE . 7.5 mtpp -89.17 117.32 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.378 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -92.26 -55.48 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 40.1 t80 -137.23 152.68 50.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.422 HD11 ' HE3' ' A' ' 41' ' ' LYS . 76.2 mt -138.32 117.7 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HE2' HG21 ' A' ' 110' ' ' VAL . 4.2 tptm -118.16 128.43 54.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 39.1 mt -128.37 115.31 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.4 ' SG ' ' CG1' ' A' ' 110' ' ' VAL . 46.9 t -127.53 137.02 52.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.354 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.454 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 17.5 ttt180 -103.98 141.75 35.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -141.21 133.57 28.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.901 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.8 mm? -98.83 135.09 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.441 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 54.4 m170 -81.32 154.32 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -74.3 -6.67 49.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.346 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -86.17 1.39 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.61 3.83 88.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 12.8 pt-20 -96.51 133.05 25.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.901 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.5 Cg_endo -74.94 148.56 35.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.072 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.567 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.8 t-80 -141.0 151.08 43.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.528 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.87 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -128.71 140.17 51.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.87 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -124.06 140.07 53.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.599 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.471 HG13 HD12 ' A' ' 58' ' ' LEU . 58.6 mt -143.08 139.28 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.563 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.33 109.92 7.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.441 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.1 mt -115.71 150.24 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.58 ' HG2' ' CE1' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.11 116.48 13.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.262 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 41.3 m-85 -90.63 156.76 17.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -61.22 -33.88 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.37 158.03 19.66 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -59.32 113.82 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.574 ' HB2' HG21 ' A' ' 39' ' ' THR . 4.1 t80 -92.35 138.8 31.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.401 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.64 107.19 19.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.1 t -105.79 70.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.531 1.144 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.2 t -93.2 29.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -159.25 120.41 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 21.8 mt-30 -87.16 42.65 1.04 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 3.7 mmt85 -116.78 -19.55 9.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.616 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.7 t80 -76.83 -39.24 51.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CD2' HG12 ' A' ' 91' ' ' ILE . 27.4 m-85 -87.97 12.64 12.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.5 m-20 -66.92 107.35 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -106.85 137.07 45.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.428 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.4 m -122.52 164.59 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 21.2 t -85.31 118.71 71.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.42 13.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.598 1.841 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 p -112.86 -20.71 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' SER . 2.6 ttt180 -133.56 144.51 49.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -76.7 55.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.8 140.23 51.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.428 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 27.0 m170 -107.59 147.93 29.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.564 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 22.2 m-85 -126.23 136.03 52.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.79 100.98 48.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.01 160.63 39.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -92.19 115.48 28.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.493 HG12 ' CD2' ' A' ' 76' ' ' PHE . 10.1 mt -86.91 127.56 40.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.15 132.91 38.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.88 114.49 4.57 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.652 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.2 113.52 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -138.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 97' ' ' SER . 7.8 t -89.71 143.13 27.05 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.598 1.186 . . . . 0.0 109.951 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.7 OUTLIER 156.99 132.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 101' ' ' LYS . 3.4 m -80.21 -7.39 58.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -45.69 -25.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.485 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.0 m -67.45 -42.63 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.5 OUTLIER -62.67 -50.39 71.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.4 t -57.93 -49.32 77.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.949 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -62.39 -35.45 79.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 26.2 mt -67.22 -31.22 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.062 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.18 -29.27 60.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -74.67 69.56 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -83.09 172.16 12.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.39 96.7 0.14 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 61.44 34.48 18.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 0.0 109.368 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.541 HG21 ' HE2' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -120.09 166.82 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.4 tt -104.66 143.93 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.623 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -127.74 129.94 47.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.221 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.605 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 18.5 t90 -138.24 152.26 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.605 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 63.49 -178.82 6.5 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.457 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -124.28 124.02 41.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 0.814 . . . . 0.0 110.371 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 63' ' ' GLN . 19.1 t80 -79.87 147.74 31.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.3 OUTLIER -150.05 130.72 14.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.0 mp -93.11 121.83 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -74.51 -55.58 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 113.22 -164.52 12.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.72 -79.1 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -108.69 151.88 25.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.634 ' CE1' HD11 ' A' ' 9' ' ' ILE . 9.6 t80 -74.69 102.12 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 111.082 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.4 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -132.96 111.46 11.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.634 HD11 ' CE1' ' A' ' 7' ' ' PHE . 19.8 mt -108.42 139.55 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.83 111.37 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.5 163.23 27.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -88.23 -25.83 22.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.745 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 7.4 m-80 -117.93 131.37 56.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 11.8 m-85 -126.42 142.82 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.594 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 20.8 m-85 -120.39 122.94 41.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.543 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.7 mm? -104.68 129.62 52.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -113.99 121.54 44.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.574 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 17.7 m-85 -111.95 102.96 54.81 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.03 136.89 20.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER 38.03 51.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.368 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 13.8 t -106.64 123.15 47.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -86.31 11.61 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD21 HD22 ' A' ' 78' ' ' LEU . 23.9 tp -71.34 134.21 46.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.677 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 9.2 p -85.13 159.22 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HB3' HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -67.1 -29.45 69.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.06 -47.88 72.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.677 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 5.2 m120 -66.45 -43.27 86.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.729 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.81 -36.03 82.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.631 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.4 OUTLIER -69.22 -41.89 76.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.416 ' N ' HD13 ' A' ' 29' ' ' LEU . 3.5 m -68.1 -45.33 74.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.535 ' CD ' HD23 ' A' ' 78' ' ' LEU . 58.3 mt-30 -66.98 -47.59 71.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 3.5 mm -63.76 -45.43 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.23 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.631 ' HG1' HD22 ' A' ' 29' ' ' LEU . 23.8 m -61.87 -33.84 74.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -84.38 -9.49 58.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.175 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -74.62 118.83 18.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.611 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.6 OUTLIER -79.08 162.5 25.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.611 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -147.47 156.95 45.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.345 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -74.93 -7.48 19.26 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.57 1.827 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -110.62 -107.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.39 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.585 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.9 OUTLIER -168.32 132.36 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.611 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.5 mtpp -87.07 118.67 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.691 HD13 ' HB2' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -94.44 -84.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.382 1.052 . . . . 0.0 109.354 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 56.2 t80 -103.71 156.15 18.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 62' ' ' ILE . 87.6 mt -143.82 115.89 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 26.1 tptp -123.06 127.53 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.523 HG23 HD11 ' A' ' 58' ' ' LEU . 4.9 mt -126.12 115.62 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.418 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 27.2 t -116.06 138.95 50.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.343 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -96.87 141.52 29.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -149.47 134.26 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.423 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 9.3 mp -98.7 135.85 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.6 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 59.5 m170 -82.71 156.99 23.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.653 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.52 -5.51 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -80.8 1.59 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.78 -0.5 86.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 2.8 pt-20 -96.12 137.94 21.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.44 0.729 . . . . 0.0 110.349 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.423 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.5 Cg_endo -74.95 123.34 7.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.6 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 4.3 t-80 -110.24 155.05 22.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.851 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -127.08 138.36 53.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.851 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -117.88 137.05 53.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.729 HD11 ' HB1' ' A' ' 28' ' ' ALA . 4.0 mt -132.4 137.19 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.594 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 tm? -138.71 110.47 7.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.656 HG23 HG12 ' A' ' 44' ' ' ILE . 1.6 mt -121.01 151.18 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' CG ' ' HB3' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -136.09 116.57 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -91.61 154.42 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.691 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -61.88 -33.83 74.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.35 156.87 17.75 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -58.82 112.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 0.731 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.585 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 5.8 t80 -90.74 142.45 27.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.53 110.73 23.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.807 ' SG ' HD13 ' A' ' 91' ' ' ILE . 8.9 t -105.79 68.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.4 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.7 t -96.87 31.55 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 110.333 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -162.21 123.31 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.825 ' HA ' HD11 ' A' ' 91' ' ' ILE . 1.3 pt20 -89.83 38.08 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 7.0 mmt180 -115.45 -17.94 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.247 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 9.6 t80 -76.99 -38.85 52.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CE1' HD21 ' A' ' 16' ' ' LEU . 14.8 m-85 -88.31 13.01 12.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 66.3 m-20 -66.44 106.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.535 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.1 mt -108.07 138.37 44.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.452 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 1.9 m -122.66 165.15 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 34.0 t -84.87 118.99 72.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.937 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.98 14.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.3 p -112.92 -20.59 11.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 80' ' ' SER . 7.1 ttm180 -133.64 144.93 49.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.93 55.53 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.74 142.79 51.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.452 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 27.6 m170 -108.5 147.67 31.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.586 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 19.8 m-85 -126.28 132.0 51.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.53 100.95 44.23 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.577 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.574 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.09 163.07 35.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -91.42 124.23 35.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.825 HD11 ' HA ' ' A' ' 73' ' ' GLN . 48.4 mt -83.83 126.23 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -135.39 132.27 37.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.07 113.78 4.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.46 113.21 22.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -149.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.5 OUTLIER -88.9 142.1 27.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.1 m 153.86 147.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER -80.26 -5.61 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.96 -27.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.493 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.7 m -67.68 -45.29 85.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.26 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -58.71 -39.61 81.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -45.0 86.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -70.74 -33.67 71.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 77.5 mt -67.82 -33.53 62.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.6 -22.9 59.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -74.97 68.28 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -82.67 154.05 25.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 148.46 100.31 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 33.6 m-20 64.29 36.18 9.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.478 HG21 ' HE2' ' A' ' 45' ' ' LYS . 2.7 m -122.41 168.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.543 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -129.28 119.37 23.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -105.91 145.81 30.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.433 ' N ' ' HG2' ' A' ' 112' ' ' GLU . 12.4 t90 -140.5 140.8 35.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 108.035 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.47 -171.59 54.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -123.81 127.42 48.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 0.747 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.493 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 19.0 t80 -79.99 151.06 30.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.59 ' CG ' HD23 ' A' ' 42' ' ' LEU . 16.8 mm-40 -108.08 141.64 39.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.248 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.7 mm -97.0 155.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.86 90.3 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 112.0 -161.27 12.79 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.562 0.801 . . . . 0.0 110.24 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.76 58.16 0.69 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.76 138.2 48.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.613 ' CE1' HD11 ' A' ' 9' ' ' ILE . 10.0 t80 -78.61 102.17 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.419 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.94 116.06 15.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 7' ' ' PHE . 22.7 mt -112.56 136.61 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 112.13 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.16 163.48 28.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.258 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -34.69 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.744 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.8 m-80 -113.96 144.73 42.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 8.6 m-85 -132.94 143.49 49.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 15.2 m-85 -120.72 119.52 33.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.1 mm? -104.47 134.21 48.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.731 HG23 ' NE2' ' A' ' 57' ' ' HIS . 91.6 m -123.14 137.71 54.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.44 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.714 ' OH ' HD12 ' A' ' 60' ' ' ILE . 1.8 m-85 -123.5 101.95 36.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.9 21.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt 39.54 47.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.8 t -107.08 123.46 48.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.94 14.65 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.04 135.19 47.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.685 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.0 p -86.91 163.11 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.54 -29.34 65.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -47.38 74.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.685 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -67.29 -43.62 81.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' O ' ' HB ' ' A' ' 32' ' ' ILE . . . -67.23 -36.98 82.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.671 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.8 OUTLIER -68.98 -43.74 74.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.408 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 42.6 m -63.76 -45.19 90.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.598 ' O ' HD13 ' A' ' 35' ' ' LEU . 37.4 mt-30 -68.34 -47.09 68.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.781 HD13 ' CD2' ' A' ' 35' ' ' LEU . 9.6 mm -61.76 -44.97 99.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.671 ' HG1' HD22 ' A' ' 29' ' ' LEU . 99.9 m -62.31 -32.27 72.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.4 m120 -87.64 -8.09 56.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.781 ' CD2' HD13 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -73.9 117.72 16.01 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.607 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.8 mt-30 -81.21 160.5 24.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.561 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -148.87 156.81 40.98 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.0 -1.84 11.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.575 1.829 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.617 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -117.94 -108.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.617 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t30 -172.32 143.65 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -90.1 117.54 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.461 ' HA ' HD12 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -87.31 -61.12 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 62.5 t80 -137.49 158.37 44.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.437 HG23 HG12 ' A' ' 62' ' ' ILE . 36.7 mt -136.72 129.35 44.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 3.0 tmtt? -127.4 110.56 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.597 HD12 ' HB2' ' A' ' 29' ' ' LEU . 53.2 mt -116.26 116.29 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.82 132.81 47.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.268 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 141.85 29.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . 26.3 tp10 -148.93 134.32 18.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 7.6 mp -97.22 135.27 39.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.549 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 54.8 m170 -82.65 157.63 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -5.71 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -81.32 -0.45 41.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.77 2.92 90.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -96.14 133.69 24.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 0.789 . . . . 0.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.07 123.58 7.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.731 ' NE2' HG23 ' A' ' 17' ' ' THR . 1.7 t-80 -120.85 155.62 33.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.562 HD21 HG23 ' A' ' 46' ' ' ILE . 4.5 tt -135.41 143.23 45.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.431 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -116.09 150.6 37.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.581 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.714 HD12 ' OH ' ' A' ' 18' ' ' TYR . 4.4 mt -142.6 137.02 28.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.556 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -138.16 110.4 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.507 ' N ' HD22 ' A' ' 61' ' ' LEU . 4.0 mt -121.09 149.98 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.217 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.551 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.85 116.96 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.329 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 53.3 m-85 -91.36 156.46 17.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 111.049 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -33.66 74.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.23 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.6 156.47 18.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -59.19 118.91 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.447 0.733 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.425 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 7.4 t80 -97.41 142.4 29.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.55 111.11 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.2 t -105.49 69.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 108.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.419 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.9 t -98.84 33.2 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -170.59 113.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.232 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.482 ' HB3' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -79.58 50.11 1.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HA ' ' OD2' ' A' ' 77' ' ' ASP . 4.6 mmm-85 -116.29 -24.01 8.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 6.0 t80 -76.41 -38.35 55.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.523 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 23.4 m-85 -88.08 12.92 12.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.41 ' OD2' ' HA ' ' A' ' 74' ' ' ARG . 75.2 m-20 -66.36 106.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.627 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -108.4 136.54 47.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.536 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 4.0 m -124.22 164.66 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.504 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 8.2 t -85.25 119.61 72.54 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.87 14.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -20.41 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.474 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.7 tpp180 -133.37 143.78 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.1 t -76.73 55.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.5 141.14 51.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 25.5 m170 -107.86 145.9 33.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.398 1.061 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 80' ' ' SER . 12.1 m-85 -126.52 132.88 51.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -114.69 101.91 54.59 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.591 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.03 166.18 29.71 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -87.26 123.36 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.61 HG21 ' SG ' ' A' ' 70' ' ' CYS . 9.6 mt -89.09 128.37 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -135.35 132.95 38.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.194 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.4 114.25 4.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.744 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.18 113.64 22.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -144.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.544 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.3 OUTLIER -91.36 143.1 26.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.06 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.9 p 155.93 138.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.8 p -80.15 -7.36 58.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -45.07 -25.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.474 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.7 m -67.67 -44.06 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -58.4 -44.87 89.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.5 m -57.86 -49.3 77.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.418 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 70.3 t80 -63.8 -34.76 78.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 116' ' ' PHE . 82.5 mt -68.94 -38.16 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -25.09 66.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -74.83 71.71 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.414 ' HA ' HG11 ' A' ' 110' ' ' VAL . 2.2 t0 -82.81 177.41 8.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 138.23 90.31 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.8 OUTLIER 63.49 37.62 10.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -116.4 161.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 29' ' ' LEU . 5.1 tt -105.03 121.9 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' N ' HD23 ' A' ' 111' ' ' LEU . 48.5 mt-10 -113.14 134.66 54.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 110.335 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.548 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 9.6 t90 -140.88 144.62 35.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 107.99 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.548 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 73.66 -177.2 44.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.1 m -123.76 119.07 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CE2' ' HG2' ' A' ' 63' ' ' GLN . 11.9 t80 -79.82 147.18 31.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -150.23 137.71 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.0 mt -91.91 128.11 43.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.34 104.09 14.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 114.71 -158.93 14.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.43 1.081 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.476 0.751 . . . . 0.0 110.278 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.34 -175.17 49.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.91 157.19 44.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 10.0 t80 -78.91 102.51 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.405 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -132.51 113.59 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' A' ' 7' ' ' PHE . 44.3 mt -106.8 133.63 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.61 111.96 10.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.42 163.35 27.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.75 -33.6 30.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.725 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.9 m-80 -114.42 146.06 41.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.2 m-85 -132.24 144.13 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 61' ' ' LEU . 14.0 m-85 -120.08 121.76 39.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -104.9 133.83 49.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.835 HG23 ' NE2' ' A' ' 57' ' ' HIS . 60.9 m -124.02 117.98 25.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.8 ' OH ' HD12 ' A' ' 60' ' ' ILE . 13.8 m-85 -106.65 102.42 41.59 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.05 137.05 21.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' PRO . 11.3 tttt 39.15 44.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.503 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.3 t -102.3 121.07 41.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.095 . . . . 0.0 108.254 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.72 13.89 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD21 HD22 ' A' ' 78' ' ' LEU . 20.1 tp -71.04 135.67 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 p -86.78 164.97 16.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.87 -27.93 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 6.6 mt-10 -66.02 -48.57 70.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 8.2 m120 -67.07 -44.31 80.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.453 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.47 -34.12 76.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.601 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -68.91 -44.31 73.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.407 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 74.8 m -67.86 -45.27 75.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.092 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.588 ' O ' HD13 ' A' ' 35' ' ' LEU . 10.6 mt-30 -66.1 -47.53 73.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 12.2 mm -64.86 -45.76 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.601 ' HG1' HD22 ' A' ' 29' ' ' LEU . 43.0 m -62.49 -38.71 90.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.7 m120 -81.28 -9.34 59.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.49 118.72 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.632 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.6 tm0? -82.22 162.78 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.064 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.551 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -146.8 158.9 45.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.401 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -75.02 -4.15 14.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.757 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.605 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -116.43 -107.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.407 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.605 ' H ' HG23 ' A' ' 39' ' ' THR . 1.3 t30 -169.88 141.08 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -90.79 120.45 31.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -92.5 -57.68 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.379 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' O ' HG23 ' A' ' 62' ' ' ILE . 58.1 t80 -138.48 158.62 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.2 mt -137.66 121.5 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' HE3' HG21 ' A' ' 110' ' ' VAL . 10.7 tptt -114.17 124.67 52.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.567 HG23 HD21 ' A' ' 58' ' ' LEU . 30.8 mt -129.79 116.16 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 55.8 m -130.2 137.2 49.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.249 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.4 143.79 27.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' HIS . 9.0 tp10 -145.63 133.52 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 1.0 OUTLIER -98.21 135.23 40.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.46 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 20.6 m170 -89.39 156.8 18.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.18 -6.55 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -83.28 -4.63 58.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.92 0.18 81.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -96.3 126.23 44.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 110.286 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.66 8.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.835 ' NE2' HG23 ' A' ' 17' ' ' THR . 3.5 t-80 -118.47 156.39 29.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.567 HD21 HG23 ' A' ' 46' ' ' ILE . 5.0 tt -135.39 143.0 45.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.541 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -116.93 144.88 44.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.598 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.8 HD12 ' OH ' ' A' ' 18' ' ' TYR . 42.3 mt -142.42 137.62 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 61' ' ' LEU . 1.2 tm? -136.18 110.2 8.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 43' ' ' PHE . 3.0 mt -115.36 151.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.509 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.7 116.34 13.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.07 . . . . 0.0 110.342 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -91.43 156.46 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.548 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.32 -33.94 74.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.5 155.64 18.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -59.24 112.84 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.577 ' HB2' HG21 ' A' ' 39' ' ' THR . 6.5 t80 -91.03 142.35 27.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.97 106.35 17.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.567 ' SG ' HG21 ' A' ' 91' ' ' ILE . 12.6 t -102.74 70.39 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.147 . . . . 0.0 108.253 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.3 t -94.95 30.62 2.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 110.447 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -161.94 117.88 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.933 ' HG2' HD12 ' A' ' 91' ' ' ILE . 9.0 mt-30 -86.74 43.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.228 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.401 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 4.2 mtm180 -117.18 -20.0 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.632 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.8 -38.74 53.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.539 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 33.5 m-85 -87.79 12.2 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.401 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 71.2 m-20 -66.91 108.22 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD23 ' NE2' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -109.24 137.1 47.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.548 ' CG1' ' CG ' ' A' ' 86' ' ' HIS . 4.4 m -126.11 164.61 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 9.7 t -85.16 118.88 71.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -2.26 12.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.2 p -113.67 -21.01 10.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.356 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 4.3 ttm180 -134.08 144.92 48.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.253 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.35 54.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.945 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.71 125.27 39.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.548 ' CG ' ' CG1' ' A' ' 79' ' ' VAL . 19.3 m170 -95.33 147.73 23.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.661 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 21.5 m-85 -126.23 131.22 51.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.71 101.24 42.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.479 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.94 158.11 42.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.75 121.79 32.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.933 HD12 ' HG2' ' A' ' 73' ' ' GLN . 7.1 mt -88.77 128.61 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.231 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -135.45 133.16 38.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.342 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.4 113.89 4.5 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.31 113.66 22.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -60.58 -150.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 109.247 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 97' ' ' SER . 23.7 p -89.24 142.87 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.3 t 155.41 142.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.2 p -79.94 -7.03 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.13 -25.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.461 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 14.1 m -67.54 -44.81 86.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 98' ' ' SER . 10.1 tptt -61.28 -40.94 95.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 t -57.81 -45.47 86.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.978 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.471 ' CE2' ' HG2' ' A' ' 45' ' ' LYS . 22.1 t80 -69.68 -33.4 72.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.497 HD11 ' CE2' ' A' ' 116' ' ' PHE . 66.2 mt -67.49 -36.21 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.92 -25.91 66.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -74.44 71.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.99 -172.94 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 114.0 101.14 2.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 2.2 m-20 63.42 43.64 5.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -131.29 166.98 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 112' ' ' GLU . 1.1 tt -131.45 113.94 14.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.567 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.3 OUTLIER -113.07 145.08 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.622 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 20.4 t90 -131.14 154.69 48.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.614 1.196 . . . . 0.0 108.039 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.622 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 70.7 -174.69 38.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.417 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.0 m -124.31 119.56 29.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.509 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 6.5 t80 -79.8 150.76 30.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.2 OUTLIER -146.67 129.58 16.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.1 mp -89.58 125.27 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.23 116.0 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -138.96 65.49 0.54 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 110.267 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.74 147.2 4.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.03 157.33 44.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 30.7 t80 -76.16 102.57 5.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.8 113.91 13.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.9 mt -111.87 135.58 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -134.52 109.94 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.165 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.46 163.63 27.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -21.35 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.593 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.6 m-80 -117.17 134.62 54.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.578 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 4.5 m-85 -131.04 137.16 49.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 23.8 m-85 -120.29 124.62 46.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.588 HD21 ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -104.77 129.37 53.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' NE2' ' A' ' 57' ' ' HIS . 31.8 m -119.46 118.23 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.929 ' OH ' HD12 ' A' ' 60' ' ' ILE . 4.4 m-85 -108.95 104.24 54.32 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.05 136.52 20.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.442 1.759 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 39.79 48.14 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -105.36 122.12 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.88 14.6 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 tp -70.9 134.69 47.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.488 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.4 p -86.83 162.45 17.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.396 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.16 -27.57 64.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -66.27 -47.79 72.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.299 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.488 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.1 m120 -68.05 -43.74 77.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.72 -32.26 72.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -69.15 -44.15 72.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.404 ' N ' HD13 ' A' ' 29' ' ' LEU . 61.5 m -69.66 -43.49 72.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.596 ' O ' HD13 ' A' ' 35' ' ' LEU . 14.8 mt-30 -66.18 -48.02 72.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.2 mm -65.29 -45.74 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.501 ' OG1' HD22 ' A' ' 29' ' ' LEU . 52.5 m -64.19 -33.38 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.38 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -85.51 -10.34 56.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -73.54 118.93 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.371 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.618 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.1 mt-30 -79.29 162.17 25.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.514 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.91 158.61 42.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 -6.2 17.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.599 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -114.13 -107.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.378 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.599 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.0 OUTLIER -168.68 139.89 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HZ2' HD11 ' A' ' 44' ' ' ILE . 4.5 mtpm? -91.08 126.68 36.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.698 HD23 ' HG2' ' A' ' 117' ' ' GLN . 1.1 mp -103.54 -86.81 0.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.546 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 60.6 t80 -103.27 156.26 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.589 HD11 ' HZ2' ' A' ' 41' ' ' LYS . 9.3 mt -138.02 120.23 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -113.58 109.22 18.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.424 ' O ' ' HB ' ' A' ' 110' ' ' VAL . 62.9 mt -115.96 114.41 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.1 m -131.3 138.47 49.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 108.295 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -100.57 142.85 31.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -136.88 134.56 36.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -98.19 135.25 40.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 23.1 m170 -88.85 155.62 19.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.647 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -77.01 -6.13 51.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.228 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.38 -4.61 57.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.68 -1.47 78.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -96.41 132.56 26.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.308 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.01 128.37 11.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.556 ' NE2' HG23 ' A' ' 17' ' ' THR . 6.1 t-80 -112.68 152.86 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -130.44 141.12 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.888 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -126.14 141.59 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.616 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.929 HD12 ' OH ' ' A' ' 18' ' ' TYR . 50.3 mt -142.04 139.63 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 tm? -138.66 111.05 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.442 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 1.5 mt -114.97 149.74 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.546 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.88 116.19 13.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.243 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.42 ' CE2' HG21 ' A' ' 37' ' ' THR . 55.8 m-85 -91.48 156.89 17.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -33.37 73.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.51 157.47 19.62 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.542 1.151 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -58.78 119.6 7.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 0.729 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 5.0 t80 -97.93 142.1 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.418 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.46 106.2 18.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.195 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.768 ' SG ' HG21 ' A' ' 91' ' ' ILE . 49.2 t -98.88 67.81 1.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.5 t -96.89 31.79 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -161.39 117.37 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -87.77 37.35 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.379 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -115.2 -20.61 10.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.618 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.4 t80 -76.15 -37.71 57.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CE1' HD21 ' A' ' 16' ' ' LEU . 32.1 m-85 -88.35 12.38 14.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -66.78 110.0 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.506 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.4 mt -110.04 136.91 48.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.437 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 4.0 m -123.67 164.68 21.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.47 ' O ' ' O ' ' A' ' 83' ' ' ARG . 22.7 t -85.17 119.01 72.0 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -8.49 20.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -18.38 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 80' ' ' SER . 12.7 ttt180 -132.97 142.99 49.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.05 55.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.73 142.5 50.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.437 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 26.8 m170 -108.59 147.23 32.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.685 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 20.4 m-85 -126.09 133.84 51.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.35 100.84 43.17 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.553 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.06 160.77 39.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -101.02 120.72 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.768 HG21 ' SG ' ' A' ' 70' ' ' CYS . 1.0 OUTLIER -87.41 128.78 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -135.41 133.34 38.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.04 122.76 7.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.593 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -77.04 113.86 15.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.26 -9.19 38.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.429 ' CB ' ' HB2' ' A' ' 99' ' ' ASP . 3.1 m -105.88 167.72 9.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.817 ' O ' HG22 ' A' ' 100' ' ' VAL . 35.0 p -116.23 -44.98 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.635 1.209 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -81.06 -29.76 34.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.951 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.429 ' HB2' ' CB ' ' A' ' 96' ' ' SER . 38.6 t70 -45.39 -24.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 97' ' ' SER . 23.5 m -67.59 -42.97 87.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -58.88 -38.54 79.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -57.72 -46.63 84.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -71.45 -33.71 69.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.07 -32.95 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.39 -24.59 64.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -74.88 69.21 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -83.0 -172.96 4.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.17 81.92 0.65 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.3 67.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.772 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 1.2 m -140.89 163.58 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.656 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.6 tt -104.86 147.6 27.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.656 ' N ' HD23 ' A' ' 111' ' ' LEU . 10.0 mt-10 -131.74 124.15 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.664 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 14.4 t90 -134.08 153.54 51.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 108.001 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.664 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.73 176.64 3.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.44 1.088 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.44 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -124.36 122.69 38.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.386 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.3 t80 -79.86 149.07 31.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.698 ' HG2' HD23 ' A' ' 42' ' ' LEU . 39.9 mm-40 -95.61 74.12 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.1 mm -79.36 134.64 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.02 119.42 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -162.97 -79.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 110.257 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.27 168.16 29.5 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -131.97 137.18 47.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 0.807 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.503 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 12.1 t80 -78.27 102.72 7.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.31 110.3 10.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.954 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.416 HD11 ' HE1' ' A' ' 7' ' ' PHE . 60.3 mt -103.98 134.56 44.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.96 111.78 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.21 163.65 28.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 64' ' ' PHE . 12.0 ttmt -83.67 -31.93 25.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.8 m-80 -114.45 146.88 40.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 4.1 m-85 -133.14 139.8 47.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.531 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 17.6 m-85 -120.0 121.7 39.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.3 mm? -104.9 133.7 49.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 m -121.84 118.66 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.444 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.524 ' OH ' HD12 ' A' ' 60' ' ' ILE . 20.0 m-85 -107.77 102.96 47.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' C ' ' CG ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.05 129.9 12.73 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.472 1.775 . . . . 0.0 110.943 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' CG ' ' C ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 43.28 56.41 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.6 t -114.29 123.83 50.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -86.89 14.21 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD21 HD22 ' A' ' 78' ' ' LEU . 19.0 tp -70.99 133.86 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.473 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.2 p -86.95 164.22 16.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.46 -28.31 63.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -48.89 73.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 6.1 m120 -67.25 -44.21 79.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.4 -33.4 75.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.671 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.4 tm? -69.34 -43.82 72.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -45.17 80.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.539 ' CD ' HD23 ' A' ' 78' ' ' LEU . 36.6 mt-30 -67.59 -48.59 66.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 7.3 mm -62.42 -45.8 97.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.64 ' OG1' HD22 ' A' ' 29' ' ' LEU . 69.0 m -63.23 -38.53 91.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.43 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -81.1 -9.16 59.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.585 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.61 118.82 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.4 pt20 -81.87 162.58 22.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.61 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.25 156.48 46.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.0 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.61 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -114.12 -107.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.592 ' H ' HG23 ' A' ' 39' ' ' THR . 0.5 OUTLIER -168.59 131.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.57 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 4.0 mtpp -80.41 120.87 25.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' CD1' ' OD1' ' A' ' 40' ' ' ASN . 1.0 OUTLIER -96.09 -85.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 48.1 t80 -102.64 154.67 18.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.658 HG12 HG23 ' A' ' 62' ' ' ILE . 99.7 mt -144.21 115.46 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.615 ' HE2' HG21 ' A' ' 110' ' ' VAL . 4.2 tttm -127.55 129.2 46.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.963 HG23 HG12 ' A' ' 60' ' ' ILE . 6.9 mt -125.88 116.59 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 39.3 t -122.58 136.37 54.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -100.23 143.18 30.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -138.23 133.45 33.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -98.49 135.23 40.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 31.7 m170 -88.04 154.33 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -73.97 -6.69 48.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -86.38 -0.85 56.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.42 5.82 84.49 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.442 1.089 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 16.2 pt-20 -96.37 125.92 45.77 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.506 0.768 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.67 8.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.465 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 6.3 t-80 -111.01 154.35 24.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.655 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.797 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -131.84 135.53 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.797 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -116.88 142.94 46.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.559 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.963 HG12 HG23 ' A' ' 46' ' ' ILE . 7.9 mt -140.44 137.39 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.531 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -138.24 110.15 7.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.658 HG23 HG12 ' A' ' 44' ' ' ILE . 6.3 mt -117.42 154.12 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -129.7 138.99 51.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.486 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 85.4 m-85 -116.74 148.02 41.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -33.52 74.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.19 157.15 20.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.33 109.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 0.728 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.537 ' HB2' HG21 ' A' ' 39' ' ' THR . 5.1 t80 -87.69 136.58 32.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -98.69 111.29 23.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.642 ' SG ' HD13 ' A' ' 91' ' ' ILE . 31.2 t -107.73 70.4 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 108.329 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.443 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.6 OUTLIER -92.48 29.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -161.94 120.12 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.675 ' HG2' HD12 ' A' ' 91' ' ' ILE . 12.6 mt-30 -86.99 44.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.43 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -117.1 -18.24 10.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.364 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.5 t80 -77.28 -40.23 45.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -87.91 13.05 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.637 1.211 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.43 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.1 m-20 -66.64 110.43 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.539 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -109.28 136.9 47.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.478 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.1 m -125.01 164.83 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 83' ' ' ARG . 42.7 t -85.08 117.68 69.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.95 17.44 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.24 -20.73 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 6.8 ttm180 -133.55 144.19 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -76.27 57.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.37 137.89 51.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.478 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 18.2 m170 -106.14 146.23 30.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 17.0 m-85 -126.19 130.35 50.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.9 101.34 43.91 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.486 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.98 159.48 41.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.803 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -87.17 122.58 31.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.675 HD12 ' HG2' ' A' ' 73' ' ' GLN . 62.0 mt -86.86 126.44 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -135.53 132.8 37.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.213 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.58 113.47 4.72 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.38 113.49 22.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -141.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 97' ' ' SER . 26.0 p -90.16 142.49 27.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.2 t 155.98 139.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.4 m -80.42 -6.26 57.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.036 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -44.88 -25.94 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.517 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 21.0 m -67.69 -42.25 86.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.233 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -63.64 -44.1 94.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.3 t -57.88 -47.33 83.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -68.03 -35.35 78.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.62 -35.56 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -72.11 -23.3 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -74.89 67.39 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.01 169.91 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.233 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 110' ' ' VAL . . . 147.37 96.68 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.7 OUTLIER 62.23 34.59 15.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.736 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.615 HG21 ' HE2' ' A' ' 45' ' ' LYS . 1.4 m -122.35 166.46 17.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.898 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.7 tt -105.14 146.7 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.898 ' N ' HD23 ' A' ' 111' ' ' LEU . 5.9 mt-10 -128.13 131.13 48.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.676 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 11.9 t90 -141.4 153.81 45.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.676 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.12 175.69 2.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.469 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -124.01 125.68 44.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 0.719 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.517 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 14.0 t80 -79.78 150.9 30.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.3 OUTLIER -149.1 122.8 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.3 mp -81.04 140.56 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -80.56 109.83 15.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.362 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 157.0 -111.57 0.49 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.419 1.074 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.76 . . . . 0.0 110.255 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 106.08 69.64 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -130.55 150.76 51.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 10.8 t80 -74.13 102.71 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.23 110.49 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.469 HD11 ' CE1' ' A' ' 7' ' ' PHE . 36.1 mt -102.54 134.47 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.07 111.66 9.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.418 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . . . -162.41 163.47 27.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.61 -32.57 25.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.693 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.8 m-80 -114.09 145.74 41.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -133.81 141.3 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 111.031 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 30.9 m-85 -120.14 121.68 39.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.2 mm? -104.17 134.19 47.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -121.65 118.45 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.624 ' CE2' HD13 ' A' ' 78' ' ' LEU . 17.6 m-85 -108.12 101.72 42.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.09 137.57 21.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.586 1.835 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.9 OUTLIER 39.2 47.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.498 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.3 t -105.74 120.62 42.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 108.289 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -86.81 14.29 7.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.597 1.186 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.402 HD21 HD22 ' A' ' 78' ' ' LEU . 20.7 tp -70.27 136.32 49.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.501 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.3 p -86.57 164.54 16.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.371 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -71.11 -28.64 64.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.17 -49.13 70.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.501 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 7.7 m120 -65.7 -43.99 87.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.493 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.75 -32.45 72.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -69.24 -45.03 70.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.433 ' N ' HD13 ' A' ' 29' ' ' LEU . 58.0 m -68.66 -43.11 76.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.563 ' O ' HD13 ' A' ' 35' ' ' LEU . 28.6 mt-30 -66.55 -48.12 70.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 28' ' ' ALA . 10.2 mm -65.12 -46.14 92.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.546 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.9 m -62.65 -35.2 78.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -83.59 -9.69 58.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -74.33 118.78 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.621 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 1.8 pt20 -80.3 161.98 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.573 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.42 155.24 45.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 17.9 Cg_endo -75.06 -6.36 17.93 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.515 1.798 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.658 HG21 ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -111.25 -108.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.597 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.6 OUTLIER -169.91 134.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 9.4 mttp -84.83 116.7 23.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.235 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.468 HD23 HE22 ' A' ' 63' ' ' GLN . 0.7 OUTLIER -88.36 -63.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.527 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 62.1 t80 -137.36 160.88 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.424 HG22 HG13 ' A' ' 46' ' ' ILE . 25.4 mt -136.27 132.16 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.546 ' HE2' HG21 ' A' ' 110' ' ' VAL . 14.1 tptm -123.12 106.17 10.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 25' ' ' LYS . 41.0 mt -112.32 116.19 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.6 t -127.14 140.07 52.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.499 ' HA ' HD22 ' A' ' 58' ' ' LEU . 32.8 ttt180 -96.59 142.51 28.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.222 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.723 ' O ' HD22 ' A' ' 50' ' ' LEU . 21.0 tt0 -133.52 140.47 47.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.737 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.8 mm? -126.69 135.55 51.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.439 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 22.7 m170 -95.11 155.29 16.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.118 . . . . 0.0 109.591 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -77.11 -6.59 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.23 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.27 -3.28 58.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.35 4.98 73.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 19.0 pt-20 -96.29 120.52 62.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 110.291 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.737 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.0 149.88 37.32 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 7.6 t-80 -141.15 152.64 44.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.567 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.824 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -133.13 136.94 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.824 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -117.67 141.25 48.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.658 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.49 HD12 ' OH ' ' A' ' 18' ' ' TYR . 6.9 mt -141.88 134.73 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.445 1.091 . . . . 0.0 109.381 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.583 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -138.46 110.27 7.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.583 ' N ' HD22 ' A' ' 61' ' ' LEU . 1.6 mp -116.11 152.28 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.576 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.95 115.41 12.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 64.1 m-85 -91.35 155.51 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.33 -33.81 75.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.02 156.03 18.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' CD ' ' HA ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -59.35 111.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 0.803 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.658 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.6 t80 -89.74 140.13 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.67 116.19 30.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.58 ' SG ' HD13 ' A' ' 91' ' ' ILE . 15.4 t -113.14 69.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.2 OUTLIER -91.45 22.07 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 110.392 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -154.27 120.3 5.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.794 ' HG2' HD12 ' A' ' 91' ' ' ILE . 26.8 mt-30 -86.55 44.02 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -118.39 -16.68 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.621 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.7 t80 -77.45 -40.32 43.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -88.15 12.34 13.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.423 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 56.4 m-20 -69.95 106.49 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.624 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -102.43 136.36 42.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.542 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.4 m -123.61 163.63 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.9 t -86.0 118.34 70.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -113.2 -20.66 11.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 21.3 tpp85 -133.52 144.51 49.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 0.0 110.324 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.44 56.62 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.96 136.1 49.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.542 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 25.4 m170 -108.68 147.1 32.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -126.34 133.86 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.88 101.28 49.25 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.512 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.93 160.28 40.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.38 122.9 31.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.794 HD12 ' HG2' ' A' ' 73' ' ' GLN . 31.4 mt -87.46 128.39 40.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -135.51 132.94 37.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.92 114.09 4.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.693 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.3 113.61 22.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -143.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.544 ' O ' ' CB ' ' A' ' 97' ' ' SER . 2.0 m -90.42 142.78 27.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.5 p 156.1 136.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.8 m -80.4 -7.08 58.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -44.93 -26.01 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.465 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.6 m -67.62 -44.97 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 98' ' ' SER . 42.8 tptt -64.16 -44.63 91.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.99 -48.28 80.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.947 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -66.92 -34.99 78.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.653 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 24.6 mt -64.61 -34.86 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -33.9 74.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -75.06 75.05 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -83.06 178.27 8.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.4 ' C ' HG13 ' A' ' 110' ' ' VAL . . . 146.52 97.18 0.2 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.634 1.208 . . . . 0.0 111.018 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.38 34.28 18.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.546 HG21 ' HE2' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -121.81 164.58 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.3 tt -104.91 145.52 30.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.535 ' N ' HD23 ' A' ' 111' ' ' LEU . 33.4 mt-10 -130.03 122.36 28.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.556 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.4 t90 -130.48 150.85 51.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.556 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.07 -177.81 18.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.425 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.1 m -123.16 116.78 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.653 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 3.9 t80 -79.59 148.11 31.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.2 OUTLIER -145.03 139.08 27.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.24 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 101' ' ' LYS . 34.1 mm -83.5 134.72 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -84.58 -54.52 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 49.12 -173.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.163 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 110.324 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.35 67.01 0.89 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 -131.15 131.89 44.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 27.4 t80 -77.57 101.83 6.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.446 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.1 p -133.6 116.15 15.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.2 mt -109.13 133.79 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.23 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -134.98 111.19 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.43 163.65 27.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 109.372 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -85.69 -25.3 26.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.847 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 17.0 m-80 -120.5 139.74 52.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -133.05 143.5 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 23.6 m-85 -119.92 122.06 40.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.538 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.1 mm? -104.55 130.43 52.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.618 HG22 ' NE2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -119.01 130.39 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.543 ' CE2' HD13 ' A' ' 78' ' ' LEU . 24.9 m-85 -117.22 103.02 52.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 133.76 17.0 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 56' ' ' PRO . 38.5 tttt 39.48 52.98 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.396 1.06 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -112.4 121.88 46.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 108.327 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.99 15.16 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 tp -69.37 135.87 50.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.665 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.7 p -86.79 162.16 17.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HB3' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.59 -28.69 65.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.72 -48.08 75.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.665 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 1.9 m120 -68.19 -44.66 75.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' HA ' HD22 ' A' ' 78' ' ' LEU . . . -64.93 -37.24 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.709 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.22 -38.19 78.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -67.4 -45.81 75.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' ' 35' ' ' LEU . 2.5 mt-30 -70.42 -45.97 64.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.6 mm -61.62 -44.69 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.709 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.3 m -65.31 -39.12 92.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.46 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -81.1 -8.02 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -73.86 118.08 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.607 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 11.3 pt20 -77.93 162.55 26.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.699 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -147.36 160.36 39.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.97 -24.76 12.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.592 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.47 -101.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.592 ' H ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -171.45 143.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.699 ' HG3' HG21 ' A' ' 37' ' ' THR . 3.6 mtpm? -91.11 126.98 36.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 117' ' ' GLN . 1.4 tp -103.87 -85.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -103.42 158.69 16.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.76 HG23 HG12 ' A' ' 62' ' ' ILE . 5.0 mt -141.87 130.2 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -126.93 111.77 14.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 25' ' ' LYS . 39.1 mt -121.04 115.01 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 t -134.27 138.55 45.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.238 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -97.05 143.42 27.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 57' ' ' HIS . 11.4 tp10 -140.23 133.9 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.58 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.5 mm? -97.22 134.93 39.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -88.63 156.33 19.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -75.25 -6.8 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -84.64 0.03 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 2.09 89.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.46 125.06 48.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.98 123.86 8.21 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.618 ' NE2' HG22 ' A' ' 17' ' ' THR . 4.8 t-80 -118.48 156.92 28.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.466 HD21 HG23 ' A' ' 46' ' ' ILE . 4.4 tt -132.28 140.25 48.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.429 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -112.81 141.78 46.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.538 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.468 HD12 ' OH ' ' A' ' 18' ' ' TYR . 8.7 mt -142.19 135.59 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 tm? -138.25 110.4 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.76 HG12 HG23 ' A' ' 44' ' ' ILE . 3.7 mt -116.96 149.22 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -135.71 118.64 16.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -91.49 158.26 16.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.25 -34.02 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.54 162.9 22.15 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -58.78 111.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.549 ' HB2' HG21 ' A' ' 39' ' ' THR . 1.9 t80 -88.12 141.25 28.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -99.35 111.53 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.505 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.1 t -112.91 70.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.248 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.446 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.7 t -94.7 31.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -157.69 125.39 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.553 ' HA ' HD11 ' A' ' 91' ' ' ILE . 19.9 mt-30 -91.48 36.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.415 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 8.6 mtt180 -116.67 -16.34 10.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 9.9 t80 -76.55 -39.41 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CE1' HD21 ' A' ' 16' ' ' LEU . 20.9 m-85 -87.83 12.71 12.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.18 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.415 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.7 m-20 -66.75 106.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -106.71 136.96 45.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.49 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.7 m -122.47 165.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 83' ' ' ARG . 40.1 t -84.79 118.87 71.95 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 -4.49 15.46 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.0 p -113.2 -20.98 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 80' ' ' SER . 5.9 ttm180 -133.77 145.65 50.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.34 54.93 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 109.966 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.24 132.42 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.49 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 21.9 m170 -102.17 146.04 28.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.576 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -126.29 137.09 53.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 100.67 53.81 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.609 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.534 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.07 160.75 39.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.33 125.27 34.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' A' ' 73' ' ' GLN . 72.3 mt -88.4 127.52 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -135.42 132.94 38.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.0 113.84 4.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.847 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.35 113.37 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -69.68 -140.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 97' ' ' SER . 88.4 p -90.1 142.36 27.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.618 1.199 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 155.23 138.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 101' ' ' LYS . 3.0 m -80.28 -6.6 58.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -44.74 -26.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.601 1.188 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.447 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.4 m -68.51 -44.39 83.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -58.82 -42.39 89.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -49.45 76.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.18 -35.21 80.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.55 HD11 ' CE2' ' A' ' 116' ' ' PHE . 74.9 mt -68.04 -35.66 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -23.68 61.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -74.91 67.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -83.02 167.51 17.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 144.16 74.57 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 2.1 m-20 77.49 62.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.777 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -140.82 163.39 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.543 HD13 ' CB ' ' A' ' 29' ' ' LEU . 3.7 tt -105.02 114.76 29.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -108.65 135.64 49.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 5.5 t90 -138.49 146.18 41.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.167 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.636 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.54 -176.84 18.71 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.457 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.0 m -123.98 128.7 49.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.39 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.55 ' CE2' HD11 ' A' ' 104' ' ' ILE . 5.0 t80 -79.9 149.56 30.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.672 ' HG2' HD23 ' A' ' 42' ' ' LEU . 45.4 mm-40 -105.13 97.12 7.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.0 mp -84.51 112.26 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -85.62 -55.29 4.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.31 -164.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 110.244 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.34 128.21 4.08 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.593 1.183 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.75 156.27 46.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 110.244 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.518 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 11.1 t80 -79.21 102.86 8.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.21 110.93 10.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.948 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mt -106.52 134.16 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.45 110.4 9.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.37 163.82 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -86.69 -24.19 25.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.806 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.5 m-80 -114.72 137.03 52.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.062 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.7 m-85 -133.63 136.1 44.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.575 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 51.5 m-85 -120.3 127.7 52.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -105.36 133.08 50.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.822 HG23 ' NE2' ' A' ' 57' ' ' HIS . 91.5 m -120.75 117.93 28.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.366 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.643 ' CE2' HD13 ' A' ' 78' ' ' LEU . 13.4 m-85 -109.78 102.97 52.14 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.96 136.44 20.49 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.54 1.811 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.6 tttp 39.73 48.62 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.195 . . . . 0.0 109.376 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.2 t -106.4 118.61 37.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 108.312 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.11 15.29 6.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 HD22 ' A' ' 78' ' ' LEU . 22.5 tp -65.85 137.2 57.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.234 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.71 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 9.8 p -83.83 163.94 19.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.58 ' CG ' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.82 -30.13 66.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -66.52 -42.46 87.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 0.0 110.321 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.71 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -71.54 -42.89 67.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.542 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.78 -40.75 79.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.637 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.5 tm? -69.2 -41.69 76.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 17.9 t -67.43 -45.88 74.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.639 ' O ' HD13 ' A' ' 35' ' ' LEU . 34.6 mt-30 -66.76 -48.27 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.447 HG13 HD13 ' A' ' 60' ' ' ILE . 13.2 mm -62.99 -45.86 97.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.637 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.9 m -63.77 -38.04 89.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.404 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.4 m120 -81.12 -10.02 59.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.62 118.95 18.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.636 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -81.46 163.02 23.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.584 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -146.67 157.08 48.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.48 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.03 -2.7 12.88 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.454 1.765 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.592 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -116.64 -107.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.592 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.6 t30 -169.52 139.77 2.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.469 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 9.3 mttp -90.92 152.34 20.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 65' ' ' GLU . 6.0 mp -130.77 -85.46 0.52 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 41.6 t80 -102.38 150.73 23.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.647 HD12 ' CE3' ' A' ' 113' ' ' TRP . 81.1 mt -140.06 116.75 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -116.95 120.74 39.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 29' ' ' LEU . 54.2 mt -119.61 116.26 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.34 139.1 53.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 108.253 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HA ' HD22 ' A' ' 58' ' ' LEU . 1.5 ttt180 -96.88 144.09 27.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -134.31 134.24 41.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -96.61 135.19 38.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -91.65 155.75 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 109.663 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -73.47 -6.81 48.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -88.35 -0.72 57.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.96 6.92 86.23 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 20.0 pt-20 -96.11 129.94 32.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.36 0.683 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.11 123.47 7.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.822 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.6 t-80 -111.76 150.44 30.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -126.46 141.59 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.894 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -122.32 146.26 47.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.531 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.616 HD12 ' OH ' ' A' ' 18' ' ' TYR . 41.3 mt -140.73 140.39 33.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.575 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.57 110.76 7.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.491 HD11 ' CG2' ' A' ' 60' ' ' ILE . 2.2 mt -120.37 153.23 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.71 125.87 26.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.245 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -101.9 157.76 16.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.528 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 1.1 tm-20 -60.67 -34.06 73.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.69 157.86 21.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -59.25 117.1 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 0.816 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.434 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 4.4 t80 -92.27 142.54 27.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.47 106.54 18.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.921 ' SG ' HD13 ' A' ' 91' ' ' ILE . 7.3 t -101.68 68.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.332 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.4 t -94.87 30.52 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -163.49 116.12 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.563 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -84.67 44.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 2.4 mmm180 -117.85 -19.83 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.636 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.6 t80 -77.03 -39.48 49.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.512 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.2 m-85 -88.26 12.47 13.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.42 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 68.1 m-20 -67.76 106.14 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.643 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -103.58 136.09 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.566 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.3 m -125.59 163.62 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 83' ' ' ARG . 22.8 t -86.12 118.36 70.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.446 1.761 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.84 -20.7 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 16.8 ttt180 -133.6 144.26 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.42 57.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.96 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.74 135.74 48.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.566 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 18.9 m170 -108.75 147.0 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -126.42 133.01 51.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -107.97 102.02 43.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.444 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.07 157.42 42.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.386 1.729 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.92 123.43 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.921 HD13 ' SG ' ' A' ' 70' ' ' CYS . 11.8 mt -86.87 128.27 39.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -135.19 132.98 38.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.56 123.12 7.83 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.806 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -76.81 113.4 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 0.787 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -4.69 35.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.43 ' CB ' ' HB3' ' A' ' 99' ' ' ASP . 3.6 m -100.61 175.51 5.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.923 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.631 ' O ' HG22 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -121.98 -58.94 1.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 110.024 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.1 m -80.17 -25.86 39.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.43 ' HB3' ' CB ' ' A' ' 96' ' ' SER . 33.8 t70 -45.41 -24.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 97' ' ' SER . 18.0 m -67.84 -45.17 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' SER . 18.6 tptm -56.7 -40.26 75.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -45.44 85.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -71.33 -33.82 69.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 19.3 mt -59.98 -32.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.53 -29.87 70.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -74.16 71.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.06 -174.63 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.28 83.94 0.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.65 76.11 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 0.768 . . . . 0.0 109.249 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -140.9 163.4 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.45 ' N ' HG23 ' A' ' 110' ' ' VAL . 5.9 tt -104.77 128.45 52.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.42 ' N ' HD23 ' A' ' 111' ' ' LEU . 3.5 tt0 -106.77 125.04 50.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.647 ' CE3' HD12 ' A' ' 44' ' ' ILE . 11.0 t90 -141.23 138.14 33.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.69 176.37 29.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.9 m -125.39 127.44 46.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 7.3 t80 -79.72 150.9 30.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.415 ' N ' ' CD1' ' A' ' 116' ' ' PHE . 53.2 mm-40 -94.03 75.12 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.5 mm -79.46 118.11 26.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.71 170.06 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -179.66 159.34 23.8 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.55 1.156 . . . . 0.0 111.048 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.0 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.85 -66.39 0.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.569 1.168 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -123.73 157.98 32.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 0.803 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 16.1 t80 -74.01 102.59 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.404 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.8 OUTLIER -132.62 116.42 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.2 mt -107.18 135.14 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.84 110.97 9.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.53 27.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 64' ' ' PHE . 19.6 ttpt -85.78 -31.64 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.38 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.732 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.8 m-80 -114.63 141.85 47.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.4 m-85 -132.96 142.33 48.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.573 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 20.4 m-85 -120.08 121.9 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.629 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.4 mm? -104.77 136.32 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.534 HG23 ' NE2' ' A' ' 57' ' ' HIS . 16.8 m -122.55 120.04 32.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.857 ' OH ' HD12 ' A' ' 60' ' ' ILE . 21.1 m-85 -106.85 102.2 41.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.97 132.61 15.67 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.452 1.764 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 20' ' ' LYS . 13.2 pttt 37.35 52.16 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.7 t -106.92 125.37 50.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.81 12.93 9.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -71.16 135.51 47.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.708 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.8 p -86.92 161.2 18.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.143 . . . . 0.0 110.454 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB3' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.17 -28.75 65.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -47.74 72.74 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.708 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.6 m120 -66.32 -43.92 84.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -68.85 -34.03 74.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 1.095 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.571 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -69.26 -43.02 74.77 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.418 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -69.03 -44.93 71.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.11 . . . . 0.0 110.093 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.573 ' CD ' HD23 ' A' ' 78' ' ' LEU . 57.4 mt-30 -66.05 -48.83 69.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.463 HG21 HD11 ' A' ' 62' ' ' ILE . 3.6 mm -63.46 -45.68 97.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.571 ' OG1' HD22 ' A' ' 29' ' ' LEU . 52.3 m -65.05 -35.35 80.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 30' ' ' SER . 26.3 m120 -86.78 -4.53 59.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 75' ' ' PHE . 1.8 tp -74.91 141.06 44.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.7 OUTLIER -90.79 161.41 15.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.471 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -149.58 150.63 31.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.06 -3.76 14.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.529 1.805 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.643 HG21 ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -118.05 -107.76 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.489 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.587 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t-20 -168.2 134.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.396 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HG3' HG21 ' A' ' 37' ' ' THR . 7.3 mtpp -84.58 118.44 24.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -90.63 -59.96 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 62' ' ' ILE . 66.1 t80 -137.44 157.69 46.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.03 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mt -137.96 128.37 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -123.01 123.95 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.58 HG23 HD21 ' A' ' 58' ' ' LEU . 18.3 mt -128.74 116.95 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.05 137.7 49.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.448 ' CD ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -96.82 143.77 27.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 57' ' ' HIS . 7.4 tp10 -143.07 133.88 25.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -97.7 135.13 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -87.75 156.1 19.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.74 -6.83 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.79 0.22 53.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.86 4.08 88.92 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -96.35 130.15 31.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.452 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.7 Cg_endo -74.92 123.58 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.534 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.7 t-80 -117.18 154.42 31.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.604 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.58 HD21 HG23 ' A' ' 46' ' ' ILE . 4.1 tt -136.57 142.11 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.446 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -117.53 146.01 43.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.645 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.857 HD12 ' OH ' ' A' ' 18' ' ' TYR . 19.0 mt -142.06 137.19 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.573 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -138.49 110.19 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.532 ' N ' HD22 ' A' ' 61' ' ' LEU . 5.3 mt -117.63 150.37 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.578 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.07 117.39 14.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.384 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.463 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 51.8 m-85 -91.14 155.79 18.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.723 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.29 -33.62 73.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.344 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.21 162.84 18.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -59.21 112.44 1.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 0.792 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.643 ' HB2' HG21 ' A' ' 39' ' ' THR . 1.2 t80 -90.07 135.54 33.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.494 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -96.88 120.05 36.49 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.543 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.2 t -119.36 69.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 108.361 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.404 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.5 t -93.93 30.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -159.22 127.93 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.699 ' HA ' HD11 ' A' ' 91' ' ' ILE . 7.3 mt-30 -88.59 31.94 0.81 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.474 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 4.9 mmt85 -114.32 -9.6 12.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.0 t80 -77.42 -39.4 47.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.629 ' CE1' HD21 ' A' ' 16' ' ' LEU . 36.0 m-85 -91.7 14.5 15.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.474 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 60.3 m-20 -65.66 106.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.573 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.1 mt -111.13 137.73 48.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.501 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 3.7 m -122.57 164.2 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 14.8 t -85.55 118.42 70.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.26 12.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.458 1.768 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.8 p -114.45 -20.61 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' SER . 1.4 ttt180 -133.53 145.38 50.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.69 54.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.72 133.82 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.501 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 19.2 m170 -101.37 146.67 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.5 m-85 -126.29 137.75 53.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -121.83 100.03 43.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.57 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.06 166.19 29.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.969 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.83 127.45 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 73' ' ' GLN . 14.2 mt -88.29 130.81 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.206 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -135.28 132.69 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.57 113.99 4.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.16 . . . . 0.0 111.044 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.732 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.42 113.32 22.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 0.744 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -138.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.2 OUTLIER -91.5 142.62 27.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.5 OUTLIER 155.78 134.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.0 m -80.3 -6.59 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -44.51 -26.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 98' ' ' SER . 13.6 m -67.81 -45.25 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 98' ' ' SER . 47.0 tptt -58.65 -45.87 88.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -50.35 73.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.507 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 15.7 t80 -62.74 -33.38 75.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.561 HD11 ' CE2' ' A' ' 116' ' ' PHE . 45.2 mt -67.38 -36.53 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.67 -20.55 64.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -74.9 68.58 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.63 163.96 21.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 136.97 98.65 0.51 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 60.4 m-20 63.14 49.77 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.529 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -136.07 166.57 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -129.87 114.8 16.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.582 ' N ' HD23 ' A' ' 111' ' ' LEU . 2.1 pm0 -115.69 146.03 42.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.217 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 23.4 t90 -129.72 154.26 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.606 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 70.4 -172.84 41.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.422 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.1 m -124.16 122.75 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 110.358 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.578 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 19.9 t80 -79.73 151.03 30.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.3 OUTLIER -149.65 141.69 23.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.4 mp -96.93 111.77 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.77 160.3 32.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.09 -106.57 2.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.61 -138.5 2.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.62 143.32 50.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.583 0.814 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.468 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 16.6 t80 -78.41 103.71 8.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.54 110.97 10.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.5 mt -106.32 134.23 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.49 109.69 8.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.29 164.1 27.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -24.96 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.209 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.976 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.6 m-80 -113.87 138.79 49.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -133.75 135.51 43.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.596 ' CE1' ' HB2' ' A' ' 94' ' ' ALA . 35.5 m-85 -120.69 122.71 41.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.68 138.33 40.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.485 HG23 ' NE2' ' A' ' 57' ' ' HIS . 15.6 m -125.95 119.78 28.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.566 ' OH ' HD12 ' A' ' 60' ' ' ILE . 12.4 m-85 -109.89 102.32 50.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 137.54 21.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER 38.32 46.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.3 t -105.52 120.96 42.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.409 1.068 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.99 14.96 6.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 tp -70.29 135.51 48.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.673 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -86.49 162.61 17.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.67 -28.93 65.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -47.95 75.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.673 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.1 m120 -67.77 -44.09 78.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.521 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -65.84 -38.84 89.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.745 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.5 tm? -69.24 -37.16 77.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.43 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 78.7 p -67.88 -45.84 73.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.583 ' O ' HD13 ' A' ' 35' ' ' LEU . 41.0 mt-30 -71.16 -46.54 61.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 10.0 mm -61.75 -46.79 95.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.745 ' HG1' HD22 ' A' ' 29' ' ' LEU . 69.2 m -63.76 -35.27 80.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 30' ' ' SER . 61.1 m-20 -83.07 -10.4 58.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.63 118.78 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.661 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 4.1 mt-30 -82.07 162.24 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.713 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.44 157.15 45.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.07 -2.98 13.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.713 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.2 OUTLIER -113.49 -108.74 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.633 ' H ' HG23 ' A' ' 39' ' ' THR . 0.8 OUTLIER -170.07 133.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 6.7 mtpp -87.52 126.95 35.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.514 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.7 mp -103.27 -87.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.482 ' HB2' ' CA ' ' A' ' 116' ' ' PHE . 57.2 t80 -102.71 156.0 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.632 HD12 ' CE3' ' A' ' 113' ' ' TRP . 82.9 mt -139.42 115.17 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.739 ' NZ ' HG21 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -111.35 126.77 55.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.563 HG21 ' HB2' ' A' ' 25' ' ' LYS . 54.5 mt -129.26 115.46 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.9 t -123.82 136.91 54.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 108.327 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -101.48 142.65 32.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' A' ' 50' ' ' LEU . 8.6 tp10 -145.12 134.37 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.858 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.2 mm? -98.57 134.76 41.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 38.7 m170 -80.83 153.58 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.05 -6.96 50.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.612 1.195 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -84.69 -0.49 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.62 3.07 84.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 20.8 pt-20 -96.63 132.78 25.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.858 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 131.94 14.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.485 ' NE2' HG23 ' A' ' 17' ' ' THR . 6.3 t-80 -120.71 153.21 37.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.637 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.856 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -131.77 138.81 48.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.856 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -121.01 135.46 55.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.617 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.566 HD12 ' OH ' ' A' ' 18' ' ' TYR . 15.3 mt -136.47 137.06 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.57 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.4 tm? -138.84 110.6 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.535 HG23 HG12 ' A' ' 44' ' ' ILE . 3.4 mt -114.99 151.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.574 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.78 129.62 32.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -103.94 156.51 17.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -61.48 -33.85 74.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.55 158.54 19.92 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -59.9 118.89 6.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.594 ' HB2' HG21 ' A' ' 39' ' ' THR . 8.6 t80 -98.71 144.72 27.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.88 117.24 34.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.687 ' SG ' HD13 ' A' ' 91' ' ' ILE . 5.9 t -111.53 70.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.458 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.6 OUTLIER -94.26 30.2 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -163.02 117.32 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.461 HE22 ' CD2' ' A' ' 88' ' ' HIS . 0.0 OUTLIER -87.05 44.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.405 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 3.8 mtp85 -118.33 -17.32 9.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.661 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 24.5 t80 -77.05 -39.15 51.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.586 ' O ' HD12 ' A' ' 78' ' ' LEU . 16.3 m-85 -87.85 12.8 12.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.405 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 67.0 m-20 -66.93 105.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -107.04 139.5 41.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.41 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.3 m -123.25 163.92 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.4 t -85.78 118.83 71.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.415 1.745 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.9 p -111.59 -20.61 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.43 143.01 48.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.03 56.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.0 143.25 50.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.41 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 24.2 m170 -108.22 147.92 30.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.534 1.146 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 12.1 m-85 -126.17 131.55 52.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.461 ' CD2' HE22 ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.62 101.68 44.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.0 151.41 39.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.813 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -87.66 125.53 34.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.687 HD13 ' SG ' ' A' ' 70' ' ' CYS . 8.1 mt -89.44 129.26 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.3 133.12 38.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.51 122.56 6.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.976 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -76.79 113.43 14.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -87.83 44.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -132.56 176.01 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 m -107.99 -97.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.938 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.8 m -80.61 -8.18 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.049 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -44.84 -27.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.375 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.578 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 5.7 m -67.56 -44.53 86.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -55.16 -40.82 71.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.82 85.21 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.957 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -71.2 -32.96 69.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 101' ' ' LYS . 90.7 mt -59.75 -34.36 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -32.27 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -72.09 66.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.11 -177.82 6.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.37 91.23 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 60.41 35.27 20.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.739 HG21 ' NZ ' ' A' ' 45' ' ' LYS . 1.3 m -112.43 164.41 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 112' ' ' GLU . 9.9 tt -105.41 148.98 26.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.638 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -135.29 131.67 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.632 ' CE3' HD12 ' A' ' 44' ' ' ILE . 5.2 t90 -141.23 154.53 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 108.028 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.583 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 64.64 177.71 5.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.477 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.7 m -126.44 130.1 50.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 0.818 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.578 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 4.9 t80 -80.04 147.51 31.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 115' ' ' THR . 1.0 OUTLIER -133.14 113.87 13.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.8 mt -90.88 146.44 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -83.28 128.89 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 111.63 -87.49 0.47 Allowed Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 110.332 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 51.04 176.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.593 1.183 . . . . 0.0 111.031 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -131.93 154.76 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.35 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.545 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 9.8 t80 -78.75 102.42 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -132.7 113.67 13.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' A' ' 7' ' ' PHE . 27.9 mt -108.53 133.8 52.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 111.18 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.24 28.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -84.31 -26.82 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.891 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 22.7 m-80 -118.37 142.18 47.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.52 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.9 m-85 -131.79 142.46 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.731 ' CE1' HD23 ' A' ' 61' ' ' LEU . 31.8 m-85 -120.11 123.66 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.2 mm? -104.94 132.94 50.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.787 HG23 ' NE2' ' A' ' 57' ' ' HIS . 99.3 m -125.14 122.27 36.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.439 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.664 ' HE2' HD13 ' A' ' 78' ' ' LEU . 11.9 m-85 -108.17 102.81 47.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 133.12 16.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' CG ' ' HD2' ' A' ' 56' ' ' PRO . 6.3 tttp 39.62 51.46 2.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -111.79 125.53 54.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.241 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.07 15.29 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.46 135.52 48.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.415 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.5 p -86.96 164.88 16.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.56 -28.89 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.69 -48.25 72.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.428 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 8.2 m120 -66.35 -44.81 82.2 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.81 -34.8 77.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.62 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.1 tm? -69.1 -43.16 75.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.412 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 3.4 t -67.84 -45.73 73.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.951 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.492 ' O ' HD13 ' A' ' 35' ' ' LEU . 6.2 mt-30 -66.74 -46.8 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.2 mm -64.65 -45.95 93.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.62 ' HG1' HD22 ' A' ' 29' ' ' LEU . 54.0 m -63.22 -39.32 94.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 30' ' ' SER . 25.2 m120 -79.78 -9.29 59.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.44 117.96 16.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.644 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -79.19 161.06 26.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.684 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.79 154.96 44.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.465 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.478 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.06 -3.72 14.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.544 1.812 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.684 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -111.37 -108.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.3 OUTLIER -169.59 132.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.529 ' HG3' HG21 ' A' ' 37' ' ' THR . 6.2 mtpp -90.18 124.44 34.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.672 HD11 ' N ' ' A' ' 65' ' ' GLU . 4.4 mp -104.63 -84.46 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' A' ' 116' ' ' PHE . 53.3 t80 -102.75 152.1 21.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 62' ' ' ILE . 67.8 mt -141.22 116.71 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -113.0 128.33 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.23 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 29' ' ' LEU . 62.4 mt -128.67 116.29 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -127.5 135.04 49.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.17 . . . . 0.0 108.287 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -96.52 143.7 27.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.387 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 57' ' ' HIS . 8.5 tp10 -141.9 133.46 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -97.87 135.03 40.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.414 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 52.3 m170 -86.44 153.64 21.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.42 -6.74 48.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -86.15 0.33 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.42 4.87 87.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 12.8 pt-20 -96.26 126.94 42.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.556 0.798 . . . . 0.0 110.237 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.07 123.63 7.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.787 ' NE2' HG23 ' A' ' 17' ' ' THR . 2.7 t-80 -119.89 155.52 32.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.521 HD21 HG23 ' A' ' 46' ' ' ILE . 4.2 tt -136.23 141.8 43.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.428 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -116.25 146.56 42.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.582 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.651 HD12 ' OH ' ' A' ' 18' ' ' TYR . 8.3 mt -142.04 139.97 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.731 HD23 ' CE1' ' A' ' 15' ' ' PHE . 1.2 tm? -138.37 110.55 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.645 HG23 HG12 ' A' ' 44' ' ' ILE . 2.6 mt -119.63 154.21 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -133.31 142.08 48.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.506 ' CD1' HG23 ' A' ' 39' ' ' THR . 88.0 m-85 -118.26 156.24 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.672 ' N ' HD11 ' A' ' 42' ' ' LEU . 1.4 tm-20 -66.21 -33.25 75.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.03 154.01 17.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.162 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -58.7 112.21 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.794 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.52 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 5.1 t80 -88.26 142.25 27.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.424 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -104.06 109.34 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.601 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.4 t -108.2 70.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.356 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 2.3 t -96.72 32.19 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -168.38 113.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -76.42 54.81 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.404 ' HA ' ' OD2' ' A' ' 77' ' ' ASP . 11.0 mmt180 -119.76 -24.52 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.623 1.202 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.644 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.6 t80 -76.5 -39.49 52.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -87.93 13.14 11.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 70.0 m-20 -66.6 107.46 2.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.664 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -108.81 136.18 48.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.545 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.5 m -128.45 164.77 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 83' ' ' ARG . 44.3 t -85.14 118.92 71.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.5 20.14 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -18.32 13.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 80' ' ' SER . 4.6 ttp180 -132.91 143.44 49.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.9 t -77.37 55.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.26 136.76 51.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.545 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 17.7 m170 -108.45 143.33 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -126.53 133.94 51.0 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.4 ' ND1' ' C ' ' A' ' 88' ' ' HIS . 0.2 OUTLIER -113.66 101.61 53.93 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.599 1.187 . . . . 0.0 109.585 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -75.04 161.93 37.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -87.12 124.99 33.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.601 HD13 ' SG ' ' A' ' 70' ' ' CYS . 10.4 mt -92.29 130.92 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.8 mm-40 -135.11 133.22 39.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.74 114.3 4.51 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.891 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.18 113.16 21.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -62.01 -152.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.547 ' O ' ' CB ' ' A' ' 97' ' ' SER . 1.0 OUTLIER -87.81 142.46 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.386 1.054 . . . . 0.0 110.021 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.8 p 155.05 143.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 p -80.43 -5.93 57.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -44.78 -26.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.58 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 19.4 m -67.95 -42.05 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 98' ' ' SER . 1.4 tmmm? -61.26 -42.51 98.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -44.24 84.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.429 1.081 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.474 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 43.4 t80 -71.18 -33.82 70.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.417 ' CD1' ' CD1' ' A' ' 116' ' ' PHE . 71.5 mt -65.78 -40.02 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -19.68 65.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -74.88 67.03 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.84 173.05 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 127.98 98.56 0.97 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 0.8 OUTLIER 62.53 45.57 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.458 HG21 ' CE ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -132.71 161.85 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.576 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.6 tt -104.88 126.56 52.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.576 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.3 mp0 -116.87 126.19 52.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.426 ' CE3' HD12 ' A' ' 44' ' ' ILE . 11.9 t90 -133.87 137.17 44.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.12 -176.83 46.4 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.505 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -125.29 137.38 54.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 0.735 . . . . 0.0 110.424 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.58 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 27.4 t80 -79.94 150.53 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 115' ' ' THR . 20.5 mp0 -114.36 136.54 52.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.9 mm -83.7 122.82 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.75 96.85 1.79 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.075 . . . . 0.0 109.353 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -177.84 177.31 48.34 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.52 151.7 7.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.75 140.5 32.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 9.9 t80 -74.27 102.39 4.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.409 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -132.73 115.32 15.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.448 HD11 ' CE1' ' A' ' 7' ' ' PHE . 22.0 mt -107.37 133.6 51.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.78 111.81 10.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.19 163.5 28.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -33.98 26.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.905 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.0 m-80 -114.49 144.91 42.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 9.1 m-85 -132.16 141.68 49.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.559 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 22.5 m-85 -118.33 121.12 39.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.508 HD22 ' N ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -104.63 130.05 52.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 m -118.8 127.05 53.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.864 ' OH ' HD12 ' A' ' 60' ' ' ILE . 2.7 m-85 -117.39 103.14 51.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.93 135.33 19.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 37.77 49.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.4 t -103.32 122.73 45.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 108.285 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.77 13.62 8.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -71.04 135.01 47.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.63 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.2 p -86.49 156.38 20.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.482 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.02 -29.13 70.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -47.77 74.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.63 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.2 m120 -67.68 -43.85 79.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -67.12 -37.23 83.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 1.061 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.632 HD22 ' OG1' ' A' ' 33' ' ' THR . 1.4 tm? -69.04 -41.1 78.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 1.1 p -68.55 -45.86 71.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.527 ' O ' HD13 ' A' ' 35' ' ' LEU . 8.2 mt-30 -67.74 -46.56 71.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm -63.84 -46.18 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.632 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.4 m -63.78 -38.39 90.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 30' ' ' SER . 24.6 m120 -80.99 -9.04 59.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.7 118.64 17.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.634 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 7.9 tt0 -80.18 162.53 24.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.564 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -147.15 157.4 46.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.393 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.755 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.61 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -115.66 -107.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.61 ' H ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -168.43 137.12 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HG3' HG21 ' A' ' 37' ' ' THR . 7.4 mtpp -90.27 121.2 32.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.38 -86.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' C ' HG13 ' A' ' 44' ' ' ILE . 52.2 t80 -103.42 157.69 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.401 HG13 ' C ' ' A' ' 43' ' ' PHE . 75.3 mt -142.16 116.58 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HE2' HG21 ' A' ' 110' ' ' VAL . 3.0 tptt -111.85 124.37 52.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.473 HG23 HG12 ' A' ' 60' ' ' ILE . 39.4 mt -128.78 115.92 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -127.43 137.95 52.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 108.297 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.577 ' HD2' HD23 ' A' ' 58' ' ' LEU . 3.1 ttt-85 -99.96 140.8 33.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 50' ' ' LEU . 11.6 tp10 -149.43 133.53 17.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 9.8 mp -98.97 135.42 40.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.543 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 58.5 m170 -80.74 156.06 26.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.5 -6.59 31.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -82.33 0.87 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.08 2.22 90.59 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.402 1.064 . . . . 0.0 110.987 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 11.4 pt-20 -96.37 134.14 23.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.437 0.727 . . . . 0.0 110.361 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.0 123.46 7.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.419 1.747 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.543 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 5.3 t-80 -111.74 154.93 24.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.638 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.89 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -133.24 141.37 48.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.89 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -121.31 141.56 50.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.555 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.864 HD12 ' OH ' ' A' ' 18' ' ' TYR . 10.7 mt -142.21 136.77 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -138.63 109.98 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.502 ' N ' HD22 ' A' ' 61' ' ' LEU . 4.3 mt -115.7 150.62 17.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.215 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.55 ' HG2' ' CD1' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.67 117.19 14.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -90.97 156.18 18.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.94 74.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.75 157.45 19.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -58.93 114.24 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.577 ' HB2' HG21 ' A' ' 39' ' ' THR . 3.6 t80 -92.34 141.21 28.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.434 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -101.89 107.9 19.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.1 t -104.98 70.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.365 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.409 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.3 t -93.9 30.38 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.422 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -164.29 118.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.893 ' HG2' HD12 ' A' ' 91' ' ' ILE . 27.1 mt-30 -84.58 46.28 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 34.7 mtt180 -117.67 -20.35 8.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.634 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.1 t80 -76.71 -39.61 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.94 12.84 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.423 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.9 m-20 -66.68 110.9 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.532 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -110.92 137.16 48.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.545 HG12 ' CG ' ' A' ' 86' ' ' HIS . 5.2 m -126.36 163.88 27.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 7.2 t -85.72 118.74 71.16 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.55 12.69 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.4 p -113.56 -20.73 11.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.472 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 85' ' ' ALA . 1.6 ttp85 -133.65 144.24 49.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.09 55.1 1.11 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 83' ' ' ARG . . . -128.77 130.66 47.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.545 ' CG ' HG12 ' A' ' 79' ' ' VAL . 23.5 m170 -100.71 146.28 27.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.556 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 15.7 m-85 -126.23 131.26 51.99 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.4 100.55 50.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.626 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.2 Cg_endo -74.96 162.86 36.52 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -87.94 124.43 33.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.893 HD12 ' HG2' ' A' ' 73' ' ' GLN . 9.2 mt -91.35 130.85 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -135.29 133.3 38.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.229 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.8 114.24 4.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.905 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.31 113.56 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -67.46 -125.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 97' ' ' SER . 7.1 t -102.4 142.84 32.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.972 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.5 OUTLIER 156.07 132.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 101' ' ' LYS . 3.1 m -78.82 -6.91 57.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.6 -26.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.48 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.5 m -67.69 -43.96 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -61.16 -41.8 97.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -54.22 49.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -62.44 -33.68 75.3 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 101' ' ' LYS . 32.6 mt -60.83 -49.44 84.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -25.84 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.223 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -75.08 67.8 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -82.84 173.63 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 151.81 89.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 1.2 m-20 62.67 34.32 14.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 0.812 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.402 HG21 ' HE2' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -117.84 157.31 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.889 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.6 tt -105.12 138.9 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.889 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.2 pm0 -134.84 141.23 46.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.68 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 13.5 t90 -134.2 154.12 51.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.68 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.18 -177.02 21.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.473 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -123.93 127.18 47.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 110.358 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.55 ' CD1' ' HG2' ' A' ' 63' ' ' GLN . 19.0 t80 -79.74 148.19 31.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.5 OUTLIER -149.82 136.47 19.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.231 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.7 mp -96.06 139.03 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -77.2 -55.96 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -66.03 -122.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.292 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.6 162.24 13.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.25 148.61 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.346 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.547 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 9.3 t80 -74.47 101.56 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 1.9 t -133.56 119.22 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 7' ' ' PHE . 38.2 mt -109.39 133.76 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.24 110.32 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.51 27.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -83.42 -34.07 25.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.894 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.2 m-80 -115.14 145.52 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 8.5 m-85 -133.29 142.29 48.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.57 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 19.0 m-85 -118.97 123.08 43.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.741 HD23 HG22 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -106.13 136.0 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.185 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 m -123.9 123.32 40.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.757 ' CE1' HD12 ' A' ' 60' ' ' ILE . 9.2 m-85 -111.63 102.04 52.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.5 Cg_endo -75.03 134.94 18.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.2 ttmm 39.77 56.33 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.5 t -114.65 125.05 53.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 108.303 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -86.6 13.52 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.98 133.89 46.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.497 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.9 p -87.1 164.19 16.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HB2' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.18 -29.65 66.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.59 -45.27 79.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.497 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.1 m120 -69.69 -42.93 73.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -69.13 -35.86 76.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.606 ' HG ' HD22 ' A' ' 111' ' ' LEU . 1.2 tm? -68.65 -47.12 67.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 m -67.0 -45.36 77.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.4 ' CB ' HD23 ' A' ' 78' ' ' LEU . 59.4 mt-30 -64.04 -35.94 82.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.8 mm -65.99 -34.42 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.547 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.5 -40.31 92.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -73.52 -13.41 61.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -73.43 112.37 9.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.624 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 5.4 pt20 -83.64 162.16 20.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.571 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.42 156.33 45.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.366 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.88 -3.17 13.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.047 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.607 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -115.86 -107.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.607 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.1 t30 -168.52 142.6 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -90.57 125.43 35.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.519 HD23 ' CG ' ' A' ' 117' ' ' GLN . 1.4 tp -103.4 -83.93 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -103.51 153.0 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -137.23 118.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' CE ' HG21 ' A' ' 110' ' ' VAL . 8.3 tptt -118.38 119.5 34.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.643 1.215 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.51 HG22 ' HB2' ' A' ' 25' ' ' LYS . 47.3 mt -127.5 115.12 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.392 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -127.9 138.56 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.47 ' HA ' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -97.04 142.65 28.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.177 . . . . 0.0 110.327 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.532 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 9.0 tp10 -142.47 134.39 27.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.811 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.8 mm? -98.29 135.04 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 38.2 m170 -82.44 154.33 25.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.96 -6.87 49.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -85.84 -0.69 56.02 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.372 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.22 4.4 83.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.046 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 12.9 pt-20 -96.55 131.41 28.33 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.811 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.95 124.17 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.594 1.839 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.532 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 3.7 t-80 -114.51 155.2 26.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.554 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.84 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -132.01 139.8 48.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.84 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -118.3 142.57 47.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.757 HD12 ' CE1' ' A' ' 18' ' ' TYR . 73.0 mt -142.46 137.19 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.57 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.61 110.66 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.562 HD12 HD21 ' A' ' 16' ' ' LEU . 2.7 mt -117.25 147.66 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.243 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' OE1' ' HA ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.35 118.23 15.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 35.2 m-85 -91.41 157.55 17.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -33.61 73.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.24 159.93 19.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -58.87 118.15 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.242 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.548 ' HB2' HG21 ' A' ' 39' ' ' THR . 4.0 t80 -96.77 141.56 29.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.432 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -100.34 107.0 18.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.4 t -103.86 69.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 108.245 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.4 t -95.04 30.84 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -162.05 122.8 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 12.8 mt-30 -87.54 41.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -116.27 -18.99 10.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.624 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.3 t80 -77.05 -39.41 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.507 ' CD2' HG12 ' A' ' 91' ' ' ILE . 21.2 m-85 -87.99 12.82 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.1 m-20 -66.9 108.21 2.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.516 ' CD1' ' OH ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -109.02 137.14 47.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.414 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.2 m -121.76 163.83 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.0 t -85.78 119.26 71.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.057 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -6.09 17.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.782 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.97 -20.28 12.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.7 OUTLIER -132.91 142.35 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.9 t -76.15 56.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.25 144.58 51.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.414 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 25.1 m170 -108.34 146.92 32.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.585 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 12.6 m-85 -126.36 131.47 51.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.72 100.34 42.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 158.88 41.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.613 1.849 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -87.3 115.63 24.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.551 HG21 ' SG ' ' A' ' 70' ' ' CYS . 10.0 mt -85.34 130.33 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.5 133.09 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.3 113.89 3.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.28 113.04 21.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.754 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -68.76 -145.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.419 1.075 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.554 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.1 OUTLIER -89.03 142.28 27.77 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.8 t 155.3 140.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 110.009 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.0 p -80.23 -5.61 56.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.945 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -44.96 -26.34 0.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.515 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.0 m -68.75 -42.6 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.377 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -62.94 -40.21 96.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -47.14 82.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.455 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 16.4 t80 -68.24 -41.3 81.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.03 -26.19 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -81.65 -39.04 24.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.733 ' CG ' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -73.28 63.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.95 -166.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.55 100.69 0.83 Allowed Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.59 31.62 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 0.702 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.452 HG21 ' CE ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -116.09 166.03 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.18 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.726 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.6 tt -104.64 135.43 46.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.726 ' N ' HD23 ' A' ' 111' ' ' LEU . 3.2 tt0 -123.44 132.21 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.654 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 9.6 t90 -141.34 149.28 40.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 108.01 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.654 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.85 178.74 10.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -123.67 129.5 51.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 0.807 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.515 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 14.6 t80 -79.75 151.11 30.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.519 ' CG ' HD23 ' A' ' 42' ' ' LEU . 18.3 mm-40 -106.34 90.51 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.0 mp -85.68 118.67 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -81.16 163.98 22.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.98 167.42 35.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.557 0.798 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.26 138.5 5.48 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.428 1.08 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 8' ' ' SER . 1.3 tmm_? -129.91 151.42 50.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 11.0 t80 -76.71 102.78 6.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' NH1' ' A' ' 6' ' ' ARG . 0.8 OUTLIER -132.6 113.96 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.941 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 7' ' ' PHE . 18.2 mt -106.55 134.28 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -134.51 111.24 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.22 163.63 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -33.67 24.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.958 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.3 m-80 -114.67 146.74 40.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.423 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 13.1 m-85 -133.52 142.34 48.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 61' ' ' LEU . 19.0 m-85 -120.25 119.88 34.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -104.41 130.66 52.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -118.15 134.25 55.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.473 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.711 ' OH ' HD12 ' A' ' 60' ' ' ILE . 1.1 m-85 -126.48 102.15 26.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.98 140.57 25.67 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.788 . . . . 0.0 111.064 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 18.4 ptmt 39.25 36.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.519 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.6 t -92.4 121.24 33.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 108.253 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.64 12.71 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 23' ' ' LEU . 17.0 tp -71.16 134.28 46.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.41 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.1 p -86.53 160.82 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -67.75 -28.75 67.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.48 -48.66 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.41 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 10.0 m120 -65.23 -44.27 88.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.37 -32.43 71.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.228 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.647 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -69.38 -44.3 71.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.432 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -69.49 -43.93 72.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.432 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 32.3 mt-30 -65.89 -48.24 72.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 9.9 mm -65.48 -45.35 93.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 42.9 m -62.69 -38.34 90.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.25 -10.26 59.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.592 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -74.53 118.43 17.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.617 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 16.2 mt-30 -81.43 162.54 23.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.497 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.11 158.81 44.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.493 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -74.96 -6.74 18.46 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.6 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.45 -105.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.6 ' H ' HG23 ' A' ' 39' ' ' THR . 1.3 t30 -172.43 141.07 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HZ3' ' CG2' ' A' ' 62' ' ' ILE . 4.8 mtpm? -89.7 116.72 28.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.592 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -84.11 -64.55 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.228 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.666 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 21.5 t80 -137.29 164.38 28.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.666 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 5.4 mt -135.91 124.62 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' CE ' HG21 ' A' ' 110' ' ' VAL . 2.5 tptt -116.37 108.17 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 29' ' ' LEU . 79.9 mt -115.64 115.54 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -128.78 139.88 51.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.466 ' HA ' HD22 ' A' ' 58' ' ' LEU . 4.2 ttp85 -96.57 142.83 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 110.361 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 7.3 tt0 -143.96 134.45 24.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.3 mm? -98.02 135.1 40.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.49 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 40.7 m170 -85.51 154.63 21.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.11 -6.64 50.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -82.74 2.18 35.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.79 -1.21 89.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 16.2 pt-20 -96.75 138.8 21.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 110.256 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.649 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.01 131.59 14.45 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.49 ' CG ' ' NE2' ' A' ' 51' ' ' HIS . 4.7 t-80 -117.54 154.99 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.656 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.878 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -133.17 140.64 47.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.878 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -118.97 143.93 46.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.645 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.711 HD12 ' OH ' ' A' ' 18' ' ' TYR . 5.2 mt -142.53 134.89 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 1.2 tm? -138.41 110.19 7.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.385 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.49 HG12 HG23 ' A' ' 44' ' ' ILE . 2.1 mt -114.86 150.19 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.263 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.26 116.72 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -91.52 156.19 17.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.592 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -62.29 -33.6 74.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.61 159.59 20.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -58.92 120.17 8.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.228 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.477 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 4.5 t80 -100.94 142.37 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.416 HD22 ' N ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -100.78 117.47 34.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.448 ' HG ' ' HE2' ' A' ' 76' ' ' PHE . 6.2 t -114.76 70.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.444 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.1 t -93.09 29.48 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -161.04 119.73 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.887 ' HG2' HD12 ' A' ' 91' ' ' ILE . 32.2 mt-30 -86.59 42.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 43.7 mtt85 -117.48 -18.95 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.617 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 13.9 t80 -76.85 -39.52 50.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.448 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 22.7 m-85 -87.85 12.4 13.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.6 m-20 -67.71 110.46 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -105.66 136.23 45.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.453 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 3.1 m -124.64 163.44 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 7.7 t -86.39 118.29 70.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -2.28 12.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.0 p -113.59 -20.61 11.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 110.388 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' SER . 17.9 ttt180 -133.62 144.04 48.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.01 56.93 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.7 131.4 44.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.453 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 24.3 m170 -102.25 146.13 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.531 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.5 m-85 -126.52 132.12 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.66 101.45 43.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.94 159.91 41.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -87.52 121.49 30.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.887 HD12 ' HG2' ' A' ' 73' ' ' GLN . 12.4 mt -87.79 130.43 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.27 132.97 38.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.5 114.18 4.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.958 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.31 113.49 22.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -150.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 97' ' ' SER . 7.0 t -89.6 142.87 27.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.6 OUTLIER 155.12 139.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.1 m -80.38 -6.81 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -44.73 -26.07 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.53 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 15.1 m -67.67 -43.38 86.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 98' ' ' SER . 10.8 tptt -62.42 -42.2 99.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.1 t -57.68 -45.82 85.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.908 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -69.08 -35.69 76.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.533 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 56.2 mt -65.77 -38.2 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 109.382 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -30.47 70.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -75.02 73.66 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -82.77 167.3 18.27 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 151.52 94.15 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 7.1 m-20 64.6 32.7 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -121.96 162.18 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 112' ' ' GLU . 8.0 tt -105.05 145.57 30.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.175 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.768 ' N ' HD23 ' A' ' 111' ' ' LEU . 42.9 mt-10 -130.78 125.5 33.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.654 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.3 t90 -130.21 151.32 50.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 108.068 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.654 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.51 -177.76 16.28 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.575 1.172 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.436 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.0 m -123.41 117.42 25.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 5.1 t80 -79.66 147.72 31.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.163 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.2 OUTLIER -145.98 125.21 12.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.1 mp -80.38 136.93 22.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -156.84 129.32 7.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.23 129.55 1.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.14 66.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.588 1.18 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.04 157.86 26.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 16.3 t80 -74.1 103.1 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.402 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 4.2 p -132.27 119.09 20.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 51.1 mt -110.62 135.49 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.53 110.7 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.45 164.05 27.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.39 -24.27 24.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.187 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.817 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.7 m-80 -113.84 136.08 53.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.606 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 5.4 m-85 -133.48 133.26 42.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.574 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 40.0 m-85 -120.88 125.18 46.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.525 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.4 mm? -104.13 133.56 48.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -119.55 125.94 50.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.956 ' OH ' HD12 ' A' ' 60' ' ' ILE . 6.6 m-85 -115.42 102.16 54.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 137.68 21.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 pttt 40.1 46.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.6 t -108.13 120.59 42.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.22 15.11 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.414 HD21 HD22 ' A' ' 78' ' ' LEU . 19.4 tp -70.18 135.67 49.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.448 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.0 p -86.76 165.66 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.49 -28.9 64.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -66.13 -48.55 70.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.448 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 10.5 m120 -65.52 -44.39 87.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.546 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.66 -34.08 75.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.605 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.4 tm? -69.09 -40.92 78.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 71.9 m -68.17 -44.78 75.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' HD13 ' A' ' 35' ' ' LEU . 35.4 mt-30 -68.13 -48.29 65.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' O ' ' HE2' ' A' ' 41' ' ' LYS . 20.8 mm -62.44 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.267 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.605 ' HG1' HD22 ' A' ' 29' ' ' LEU . 54.5 m -63.13 -32.95 74.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.48 HD22 ' N ' ' A' ' 34' ' ' ASN . 1.4 m-80 -84.16 -11.21 56.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.32 117.76 16.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.571 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -79.48 163.16 24.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.542 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 1.2 t -146.32 153.72 48.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.542 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.04 -15.84 20.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.57 1.826 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.76 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -101.59 -93.46 0.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.76 ' H ' HG23 ' A' ' 39' ' ' THR . 0.8 OUTLIER 178.1 140.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' HE2' ' O ' ' A' ' 32' ' ' ILE . 7.8 mtpp -88.66 123.35 33.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.525 HD23 ' HG2' ' A' ' 117' ' ' GLN . 1.1 mp -96.15 -86.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 45' ' ' LYS . 50.9 t80 -103.61 154.24 19.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.055 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.713 HG12 HG23 ' A' ' 62' ' ' ILE . 65.5 mt -145.16 115.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.655 ' HE2' HG21 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -136.11 128.69 30.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.53 ' CG2' HD11 ' A' ' 58' ' ' LEU . 3.3 mt -118.97 115.13 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.51 ' HA ' HG12 ' A' ' 110' ' ' VAL . 10.6 t -110.72 138.63 46.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 108.293 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -96.97 144.13 27.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.24 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 57' ' ' HIS . 28.0 tt0 -145.57 135.52 23.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.835 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.1 mm? -98.09 134.85 40.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.45 ' NE2' ' CG ' ' A' ' 57' ' ' HIS . 34.1 m170 -84.15 154.49 23.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.666 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.64 -6.94 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -83.21 1.16 42.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.78 0.69 89.15 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.44 136.92 21.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.835 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 123.53 7.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 5.1 t-80 -108.62 154.89 21.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -130.34 138.08 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.83 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -118.39 144.34 45.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 109.675 179.889 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.956 HD12 ' OH ' ' A' ' 18' ' ' TYR . 9.5 mt -139.24 139.84 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -138.61 110.62 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.934 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.713 HG23 HG12 ' A' ' 44' ' ' ILE . 5.7 mt -119.07 151.97 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.556 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 25.3 tt0 -128.93 143.23 50.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.437 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 92.1 m-85 -119.2 147.72 43.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.508 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -62.93 -33.6 75.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.43 164.15 20.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -59.61 109.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.633 ' HB2' HG21 ' A' ' 39' ' ' THR . 1.4 t80 -90.99 135.28 33.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.449 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -98.42 110.26 22.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 6.5 t -105.68 71.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 108.373 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.3 t -95.93 31.67 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.351 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -153.91 122.85 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.703 ' HA ' HD11 ' A' ' 91' ' ' ILE . 2.2 pt20 -86.8 26.21 1.16 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.464 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.6 mtp180 -115.57 -11.49 11.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.403 1.064 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.571 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.7 t80 -77.81 -21.48 51.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.419 ' O ' HD12 ' A' ' 78' ' ' LEU . 19.4 m-85 -112.91 13.31 19.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.464 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.3 m-20 -66.63 106.14 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -104.19 136.03 44.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.439 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.7 m -122.69 163.62 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 83' ' ' ARG . 11.8 t -86.31 118.35 70.2 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.65 12.82 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.0 p -113.44 -20.66 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 80' ' ' SER . 12.2 ttm180 -133.6 144.33 49.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.68 56.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.67 134.09 47.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.439 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 26.3 m170 -104.88 146.36 29.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.632 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 15.9 m-85 -126.59 132.69 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -111.75 100.8 49.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.632 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.515 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.01 159.29 41.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -87.2 131.71 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' A' ' 73' ' ' GLN . 7.6 mt -97.29 119.61 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.466 ' CG ' ' HB2' ' A' ' 15' ' ' PHE . 12.5 pt20 -135.96 132.79 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.61 130.05 10.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.594 1.184 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.817 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -76.93 113.28 14.45 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.52 0.776 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -5.49 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' CB ' ' A' ' 99' ' ' ASP . 2.9 m -101.58 174.3 6.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.61 ' O ' HG22 ' A' ' 100' ' ' VAL . 77.2 p -118.73 -56.8 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.077 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.1 m -80.12 -24.95 40.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.441 ' CB ' ' CB ' ' A' ' 96' ' ' SER . 26.4 t70 -45.59 -24.8 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.371 1.044 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.707 HG21 ' CZ ' ' A' ' 116' ' ' PHE . 18.3 m -67.55 -45.06 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -57.38 -38.94 75.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 t -58.13 -46.46 85.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 2.4 t80 -71.16 -34.29 70.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 67.0 mt -63.75 -32.87 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.64 -24.77 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -74.86 68.48 1.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -83.07 -178.26 7.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.224 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 134.0 77.52 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.57 70.76 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.655 HG21 ' HE2' ' A' ' 45' ' ' LYS . 6.2 m -140.94 166.0 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.911 HD23 ' N ' ' A' ' 112' ' ' GLU . 6.1 tt -104.95 143.16 33.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.608 1.193 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.911 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -120.45 128.37 53.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.644 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 12.9 t90 -141.8 153.92 44.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.644 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 59.7 174.63 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.462 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -124.11 122.32 37.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.707 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.9 t80 -80.07 151.34 29.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.525 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -144.52 107.1 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.7 mt -79.98 147.93 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -73.27 -51.88 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.228 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 165.42 153.65 7.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 110.311 179.994 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.35 74.78 0.69 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -131.29 124.08 29.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 10.3 t80 -76.97 102.5 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.415 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -132.63 113.02 12.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD11 ' CE1' ' A' ' 7' ' ' PHE . 71.7 mt -106.31 133.41 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -134.73 110.44 9.24 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.37 163.47 27.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -86.5 -26.34 24.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.633 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 6.3 m-80 -117.22 135.24 53.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.4 m-85 -127.44 142.35 51.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 12.8 m-85 -119.72 122.05 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -104.76 129.4 53.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.507 HG23 ' NE2' ' A' ' 57' ' ' HIS . 16.1 m -121.04 118.28 29.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.526 ' OH ' ' CD1' ' A' ' 78' ' ' LEU . 17.4 m-85 -107.51 101.78 41.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.04 138.8 23.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 7.1 mttt 39.89 46.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.493 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.8 t -105.98 120.97 43.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 108.346 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.04 14.55 7.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.63 135.17 49.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.647 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.2 p -85.08 162.2 19.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.9 -29.6 66.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -48.17 74.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.647 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.1 m120 -66.52 -44.09 83.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.489 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.65 -33.08 74.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD13 ' C ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.15 -44.81 71.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.459 ' N ' HD13 ' A' ' 29' ' ' LEU . 66.0 m -67.83 -44.69 76.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.542 ' CB ' ' CD2' ' A' ' 78' ' ' LEU . 10.8 mt-30 -65.9 -47.75 73.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' A' ' 28' ' ' ALA . 18.7 mm -64.44 -45.47 95.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.545 ' OG1' HD22 ' A' ' 29' ' ' LEU . 54.4 m -62.48 -38.44 89.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.449 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 30' ' ' SER . 28.0 m120 -81.6 -7.72 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -74.92 119.09 18.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.623 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 35.2 mt-30 -81.14 163.34 23.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.596 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -146.32 160.79 41.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 -22.74 14.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.781 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.608 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -100.37 -99.15 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.608 ' H ' HG23 ' A' ' 39' ' ' THR . 1.3 t30 -175.2 144.64 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.713 ' HZ2' HG21 ' A' ' 62' ' ' ILE . 7.2 mtpp -90.46 118.71 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.453 HD23 ' CG ' ' A' ' 117' ' ' GLN . 1.7 tp -89.98 -59.89 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 116' ' ' PHE . 37.4 t80 -137.28 157.36 46.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.585 HG23 HG12 ' A' ' 62' ' ' ILE . 27.8 mt -138.41 116.8 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.521 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 8.4 tptt -116.74 117.29 29.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.228 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.434 ' O ' ' HB ' ' A' ' 110' ' ' VAL . 22.0 mt -118.75 114.98 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.5 t -124.86 136.55 53.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 108.296 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 28.8 ttt180 -103.36 142.38 34.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 49' ' ' GLU . 7.2 tp10 -141.85 132.66 25.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.801 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.2 mm? -99.12 135.29 40.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.449 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 29.1 m170 -83.03 153.74 24.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.562 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.77 -6.57 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -86.38 -2.64 58.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.65 5.92 77.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 15.5 pt-20 -96.66 127.01 41.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.801 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.98 134.81 18.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.436 1.756 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.507 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.8 t-80 -127.12 152.04 47.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 109.542 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -128.54 139.87 52.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.618 1.199 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.869 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -122.66 141.37 51.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.567 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.489 HD11 ' HB1' ' A' ' 28' ' ' ALA . 9.5 mt -142.85 139.46 27.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 tm? -138.41 109.47 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.713 HG21 ' HZ2' ' A' ' 41' ' ' LYS . 5.8 mt -116.95 147.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.02 115.94 13.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 36.8 m-85 -90.26 157.19 17.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -60.56 -33.74 73.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.86 156.62 18.91 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.504 1.127 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -59.03 111.22 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 0.807 . . . . 0.0 109.366 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.471 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.5 t80 -87.88 137.79 32.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.454 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -96.76 107.47 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 10.4 t -106.17 69.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.415 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.5 t -94.03 30.65 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -163.91 115.8 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -80.94 48.76 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -118.2 -22.57 7.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.623 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.5 t80 -76.44 -38.71 55.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.947 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 91' ' ' ILE . 24.7 m-85 -87.77 12.21 13.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 69.0 m-20 -69.77 106.65 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.542 ' CD2' ' CB ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -106.4 136.85 45.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.474 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 1.9 m -123.59 165.18 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 83' ' ' ARG . 31.3 t -84.75 119.54 72.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -6.24 17.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 p -111.45 -20.98 12.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.458 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.3 ttm-85 -133.99 145.36 49.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.38 54.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.47 132.92 52.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.474 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 24.1 m170 -102.15 147.15 26.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.612 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -126.16 133.29 51.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.24 101.38 45.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.51 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.06 159.51 41.05 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.25 119.68 27.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 73' ' ' GLN . 21.1 mt -88.37 125.08 41.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -135.25 132.4 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.18 113.73 4.79 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.31 113.21 22.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -59.78 -111.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 97' ' ' SER . 16.3 t -121.16 141.46 50.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.5 OUTLIER 158.4 142.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.021 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 p -80.5 -5.94 57.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.039 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.26 -26.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.574 1.172 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 98' ' ' SER . 19.9 m -68.2 -43.41 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -57.63 -47.35 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.6 m -57.61 -48.91 78.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -62.9 -35.56 80.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.613 HD12 ' CE2' ' A' ' 116' ' ' PHE . 27.1 mt -69.23 -32.36 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -26.87 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -73.48 67.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.03 169.4 15.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.01 93.11 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 61.33 34.3 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.259 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 2.1 m -111.79 163.48 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.846 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.1 tt -105.26 145.62 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.846 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.4 mp0 -129.96 130.74 45.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.221 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.569 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 5.9 t90 -137.46 142.98 41.57 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.569 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 74.81 -173.44 52.18 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.439 1.087 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -122.63 119.7 31.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.721 . . . . 0.0 110.362 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.613 ' CE2' HD12 ' A' ' 104' ' ' ILE . 21.0 t80 -79.67 151.07 30.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.453 ' CG ' HD23 ' A' ' 42' ' ' LEU . 34.2 mm-40 -98.37 103.54 15.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 0.0 110.386 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 101' ' ' LYS . 10.1 mm -79.35 114.18 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -160.25 169.53 23.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.66 -151.54 12.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.93 166.99 29.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.439 1.087 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -131.93 146.14 51.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 0.763 . . . . 0.0 110.277 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.64 ' CE1' HD11 ' A' ' 9' ' ' ILE . 10.4 t80 -78.25 101.56 7.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.457 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.5 OUTLIER -133.27 119.93 20.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.946 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.64 HD11 ' CE1' ' A' ' 7' ' ' PHE . 21.8 mt -113.92 134.88 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.9 111.38 9.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.32 163.55 27.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -33.7 32.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.534 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 2.2 m-80 -114.49 146.58 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.2 m-85 -133.56 144.19 49.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 61' ' ' LEU . 36.8 m-85 -120.14 124.59 46.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -104.22 128.81 51.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -119.49 119.37 33.66 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 6.3 m-85 -112.08 102.02 52.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.94 21.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 2.8 mtpp 39.24 45.32 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.6 t -100.64 121.5 41.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 108.244 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.81 14.21 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.453 HD21 HD22 ' A' ' 78' ' ' LEU . 15.7 tp -70.39 137.88 50.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.747 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -87.18 160.5 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.27 -30.04 68.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -47.89 72.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.747 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.1 m120 -65.48 -43.82 89.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.67 -34.58 75.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.592 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.1 tm? -69.25 -41.4 76.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -45.1 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.625 ' O ' HD13 ' A' ' 35' ' ' LEU . 36.9 mt-30 -67.81 -48.14 67.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.0 mm -62.47 -45.68 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.592 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.5 m -65.04 -37.54 87.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.542 HD22 ' N ' ' A' ' 34' ' ' ASN . 1.1 m-80 -82.21 -8.74 59.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.47 118.66 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.349 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.63 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.4 OUTLIER -82.61 162.35 21.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.537 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.22 157.92 45.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.05 -5.35 16.66 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.603 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -113.95 -107.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.451 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.603 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.4 t30 -170.85 142.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.247 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.651 ' HZ2' HG21 ' A' ' 62' ' ' ILE . 6.7 mttp -90.58 116.4 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.2 tp -89.49 -59.1 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 59.6 t80 -137.16 155.07 50.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.413 HG23 HG12 ' A' ' 62' ' ' ILE . 45.0 mt -136.24 118.96 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -110.67 124.22 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.7 mt -128.19 116.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.2 t -126.2 138.86 53.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -96.84 142.43 28.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.741 ' C ' HD22 ' A' ' 50' ' ' LEU . 7.9 tp10 -140.37 136.77 33.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 ' HA ' ' A' ' 56' ' ' PRO . 3.9 mm? -127.06 135.58 50.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.433 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 25.7 m170 -91.66 154.59 18.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.14 -6.64 53.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -83.09 -3.1 56.94 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.01 3.82 72.81 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 19.1 pt-20 -96.39 118.86 65.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.404 0.708 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.899 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.04 150.38 37.9 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 8.7 t-80 -140.48 152.28 45.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.619 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.796 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -133.57 135.88 44.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.796 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -121.78 137.21 54.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.559 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.541 HD12 ' OH ' ' A' ' 18' ' ' TYR . 77.4 mt -142.39 139.06 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -138.39 110.73 7.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.651 HG21 ' HZ2' ' A' ' 41' ' ' LYS . 3.5 mt -115.12 149.64 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.517 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.41 116.61 14.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 43.6 m-85 -91.14 156.44 17.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.482 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.34 -33.63 73.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.28 156.83 17.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -58.76 112.38 1.61 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 0.792 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.48 ' HB2' HG21 ' A' ' 39' ' ' THR . 8.0 t80 -90.83 142.09 28.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.414 1.071 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.91 115.1 29.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.868 ' SG ' HG21 ' A' ' 91' ' ' ILE . 7.2 t -111.3 70.49 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 108.326 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.457 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 5.6 t -100.54 33.98 2.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -168.95 109.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.456 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -76.12 55.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.228 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' HA ' ' OD2' ' A' ' 77' ' ' ASP . 3.4 mmt85 -121.96 -25.56 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 5.4 t80 -76.4 -39.26 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 27.0 m-85 -88.32 12.87 12.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 73' ' ' GLN . 65.2 m-20 -69.86 106.72 3.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.537 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -103.89 136.02 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.552 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.4 m -124.39 164.34 22.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 83' ' ' ARG . 41.6 t -85.43 118.77 71.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -5.54 16.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.782 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.6 p -111.57 -20.94 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.6 1.187 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.87 144.58 49.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.52 58.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.064 . . . . 0.0 110.057 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.37 135.48 48.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.552 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 24.8 m170 -108.25 145.91 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -126.53 136.57 52.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.09 103.05 52.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.642 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.0 160.12 40.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -87.47 118.02 26.64 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.868 HG21 ' SG ' ' A' ' 70' ' ' CYS . 13.3 mt -88.41 125.6 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.3 tt0 -135.31 133.23 38.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.417 1.073 . . . . 0.0 110.23 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.16 114.18 4.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.534 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.33 114.59 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -61.49 -138.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.543 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.5 OUTLIER -91.49 142.98 27.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.6 p 156.66 136.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.1 p -80.32 -7.18 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.93 -26.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.499 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 16.1 m -68.14 -43.53 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.8 OUTLIER -63.76 -43.34 96.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.46 -53.03 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.957 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -62.82 -35.48 80.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.551 ' CD1' ' CD2' ' A' ' 116' ' ' PHE . 36.3 mt -62.46 -37.87 79.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -25.31 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -75.09 69.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.91 171.4 13.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 147.5 94.27 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 42.9 m-20 62.53 33.62 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.236 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.88 165.73 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.11 . . . . 0.0 109.235 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.2 tt -105.02 145.66 30.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.544 ' N ' HD23 ' A' ' 111' ' ' LEU . 24.3 mt-10 -132.81 123.6 26.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.663 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 7.2 t90 -130.72 148.43 52.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 108.007 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.663 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 69.29 -179.39 25.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.462 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.1 m -123.74 120.58 33.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 7.5 t80 -79.76 149.79 31.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.4 OUTLIER -149.97 133.74 16.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.81 127.34 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -73.19 -55.22 6.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 170.62 124.22 0.74 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 110.296 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.66 151.35 22.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -126.26 119.95 28.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 110.369 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.495 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 13.7 t80 -76.91 103.35 6.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.405 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.0 OUTLIER -131.98 110.55 10.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.3 mt -107.26 133.92 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -134.25 109.64 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.6 163.74 27.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 109.257 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -24.86 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.797 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 5.1 m-80 -114.16 133.42 55.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.0 m-85 -129.6 138.33 51.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 94' ' ' ALA . 38.2 m-85 -120.05 126.48 50.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.4 mm? -104.83 129.34 53.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.695 HG23 ' NE2' ' A' ' 57' ' ' HIS . 26.3 m -119.88 117.87 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.61 ' CD2' ' HB3' ' A' ' 89' ' ' PRO . 5.8 m-85 -111.38 102.68 53.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.06 142.02 27.17 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.602 1.843 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 7.5 pttt 37.84 37.28 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 11.7 t -93.13 118.84 31.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 108.243 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -86.46 11.97 11.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.619 HD21 HD22 ' A' ' 78' ' ' LEU . 22.0 tp -71.14 135.15 47.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.414 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 6.9 p -85.09 163.69 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -70.86 -28.16 64.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.23 -48.98 71.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.228 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.414 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 6.0 m120 -66.79 -43.81 82.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.14 -32.99 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.565 HD22 ' OG1' ' A' ' 33' ' ' THR . 0.7 OUTLIER -69.06 -44.63 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -68.4 -43.84 76.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.6 ' O ' HD13 ' A' ' 35' ' ' LEU . 27.0 mt-30 -65.99 -48.42 71.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' HA ' ' HB2' ' A' ' 35' ' ' LEU . 17.8 mm -64.82 -45.36 95.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.565 ' OG1' HD22 ' A' ' 29' ' ' LEU . 46.2 m -62.9 -35.07 78.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -85.26 -8.79 58.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.6 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.58 119.01 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.639 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 13.3 pt20 -82.45 162.62 22.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.573 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -146.86 159.15 44.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.377 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.508 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.04 -3.5 14.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.593 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -116.54 -107.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.593 ' H ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -170.87 141.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -91.02 125.62 35.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.723 HD23 ' HG2' ' A' ' 117' ' ' GLN . 1.3 tp -100.43 -56.15 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.537 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 61.4 t80 -137.12 154.16 50.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.558 HG23 HG12 ' A' ' 62' ' ' ILE . 57.3 mt -138.27 118.09 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HE2' HG21 ' A' ' 110' ' ' VAL . 5.0 tptt -110.58 125.31 53.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.534 HG23 HD21 ' A' ' 58' ' ' LEU . 63.8 mt -128.76 115.62 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.3 m -129.85 139.42 51.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 108.261 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.9 147.27 24.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.756 ' O ' HD22 ' A' ' 50' ' ' LEU . 10.8 tp10 -140.33 157.23 45.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 49' ' ' GLU . 3.7 mm? -126.53 134.76 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -93.82 156.44 16.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -6.91 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -84.23 -1.1 54.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.88 2.93 88.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.42 124.11 52.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.281 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.554 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.02 129.97 12.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.695 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.2 t-80 -122.74 155.15 37.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.708 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.534 HD21 HG23 ' A' ' 46' ' ' ILE . 4.9 tt -132.65 141.83 48.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.488 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -117.53 142.18 47.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.586 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.456 ' CD1' HG12 ' A' ' 46' ' ' ILE . 5.8 mt -142.1 138.92 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -137.25 111.11 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.558 HG12 HG23 ' A' ' 44' ' ' ILE . 4.7 mt -114.7 149.31 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.545 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.76 116.75 14.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 179.919 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -91.12 156.85 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.486 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -60.62 -33.51 72.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.25 158.1 20.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -58.9 121.01 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.479 ' HB2' HG21 ' A' ' 39' ' ' THR . 7.0 t80 -100.27 142.72 31.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.14 108.37 20.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.835 ' SG ' HD13 ' A' ' 91' ' ' ILE . 10.5 t -102.99 68.62 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.248 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.5 t -95.49 31.11 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -162.58 117.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.453 ' HG3' ' CE2' ' A' ' 7' ' ' PHE . 1.1 mt-30 -86.53 43.22 1.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -116.64 -20.74 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.639 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.6 t80 -76.8 -39.45 51.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 27.6 m-85 -87.88 12.55 12.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 69.4 m-20 -66.86 111.11 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.619 HD22 HD21 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -108.46 136.92 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.427 HG12 ' CG ' ' A' ' 86' ' ' HIS . 5.6 m -125.83 163.91 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.36 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 83' ' ' ARG . 32.1 t -85.76 117.8 69.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -3.84 14.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.442 1.759 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.6 p -111.95 -21.09 11.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 80' ' ' SER . 1.7 ttt180 -133.79 144.01 48.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.06 58.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.75 134.42 46.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.427 ' CG ' HG12 ' A' ' 79' ' ' VAL . 24.9 m170 -104.6 147.59 27.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.593 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -126.2 134.23 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.02 102.25 45.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.662 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.61 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.92 159.43 41.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -98.64 120.5 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.835 HD13 ' SG ' ' A' ' 70' ' ' CYS . 7.1 mt -85.89 129.94 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.381 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -135.16 132.98 38.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.51 120.77 6.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.797 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -77.08 113.06 14.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 0.733 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -4.77 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 99' ' ' ASP . 3.0 p -91.48 176.34 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.797 ' O ' HG22 ' A' ' 100' ' ' VAL . 65.6 m -125.96 -65.5 0.99 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -80.21 -28.13 38.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 96' ' ' SER . 24.0 t70 -45.81 -24.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 97' ' ' SER . 26.7 m -67.5 -42.39 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.769 ' HG3' HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -60.39 -38.3 83.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 m -57.55 -46.81 83.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -71.4 -33.57 69.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 31.4 mt -63.63 -34.32 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.18 -23.91 63.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -74.12 67.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.1 -178.16 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.63 71.27 0.06 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.442 1.089 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.36 68.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 0.782 . . . . 0.0 109.272 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.443 HG21 ' HE2' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -140.85 166.61 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.3 tt -104.71 142.51 34.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.785 ' N ' HD23 ' A' ' 111' ' ' LEU . 5.6 tt0 -125.1 126.69 45.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.534 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 30.4 t90 -134.59 154.43 51.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.534 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 62.15 179.18 3.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.46 1.1 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m -124.1 119.39 29.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.545 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 9.0 t80 -79.87 151.26 30.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.723 ' HG2' HD23 ' A' ' 42' ' ' LEU . 46.6 mm-40 -91.71 77.35 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.769 HD12 ' HG3' ' A' ' 101' ' ' LYS . 30.5 mm -79.43 123.42 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.073 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.73 139.96 49.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -171.88 -137.54 2.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.466 1.104 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.433 0.725 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.39 121.64 4.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -112.38 150.78 30.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 10.8 t80 -77.91 102.89 7.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.14 110.85 10.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.068 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.5 mt -103.22 135.05 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 109.67 8.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.55 163.95 27.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.211 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -22.98 23.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.0 m-80 -115.0 137.1 52.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.569 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 6.5 m-85 -133.91 137.0 44.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 58.0 m-85 -120.39 127.59 52.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.8 mm? -104.69 133.07 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.55 HG23 ' NE2' ' A' ' 57' ' ' HIS . 11.7 m -121.27 121.23 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.46 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 89' ' ' PRO . 6.2 m-85 -115.4 104.14 53.61 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.02 140.86 25.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 5.2 pttt 37.72 41.44 0.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.491 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 9.1 t -98.59 120.72 39.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 108.28 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -87.01 14.75 6.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.408 HD21 HD22 ' A' ' 78' ' ' LEU . 20.1 tp -70.87 136.14 48.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.681 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.6 p -86.5 162.93 17.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.67 -29.05 65.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -66.12 -47.92 72.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.681 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.3 m120 -66.03 -44.22 85.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -69.29 -33.53 73.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.574 HD22 ' OG1' ' A' ' 33' ' ' THR . 0.8 OUTLIER -68.96 -42.7 76.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 74.6 m -69.53 -44.4 71.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.566 ' NE2' HD23 ' A' ' 78' ' ' LEU . 27.4 mt-30 -66.17 -47.59 73.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.0 mm -65.13 -45.71 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.574 ' OG1' HD22 ' A' ' 29' ' ' LEU . 51.2 m -63.4 -33.99 76.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.485 HD22 ' N ' ' A' ' 34' ' ' ASN . 1.4 m-80 -83.83 -10.24 58.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -74.33 117.44 16.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.496 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 1.2 mt-30 -79.51 161.51 25.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.717 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.5 OUTLIER -148.4 153.64 40.72 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.602 1.189 . . . . 0.0 110.382 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.514 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.0 Cg_endo -75.11 -0.49 10.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.717 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -113.67 -107.29 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.585 ' H ' HG23 ' A' ' 39' ' ' THR . 1.3 t30 -171.94 134.8 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 7.1 mttp -90.86 127.21 36.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.896 HD11 ' N ' ' A' ' 65' ' ' GLU . 4.0 mp -103.41 -86.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.484 ' HB2' ' CA ' ' A' ' 116' ' ' PHE . 41.6 t80 -102.82 153.4 20.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.744 HG12 HG23 ' A' ' 62' ' ' ILE . 88.9 mt -141.58 115.92 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.592 ' NZ ' HG21 ' A' ' 110' ' ' VAL . 1.3 tmtp? -118.52 128.59 54.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.5 HG23 HG12 ' A' ' 60' ' ' ILE . 26.5 mt -125.4 117.58 50.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.2 t -122.91 138.13 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 108.316 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.431 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -99.58 144.0 29.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 110.277 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -142.07 134.71 28.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -98.22 134.82 40.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -85.97 150.03 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.61 -7.09 35.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.78 0.81 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.29 2.94 89.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 19.6 pt-20 -96.53 131.17 28.83 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.94 125.77 9.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.791 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.55 ' NE2' HG23 ' A' ' 17' ' ' THR . 4.8 t-80 -112.03 154.87 24.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.867 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -130.89 140.79 50.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.867 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.12 143.82 49.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 0.0 109.625 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.5 HG12 HG23 ' A' ' 46' ' ' ILE . 4.7 mt -141.89 140.65 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.2 tm? -138.38 111.51 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.744 HG23 HG12 ' A' ' 44' ' ' ILE . 2.8 mt -119.97 154.44 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.543 ' NE2' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -131.11 145.92 52.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.337 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 42' ' ' LEU . 89.5 m-85 -122.44 153.26 39.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.896 ' N ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -65.92 -33.27 75.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.08 158.24 18.6 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -59.46 110.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.569 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 1.9 t80 -88.67 134.1 34.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.424 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -96.18 114.13 25.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.665 ' SG ' HD13 ' A' ' 91' ' ' ILE . 8.3 t -111.27 69.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 108.275 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.9 OUTLIER -92.56 29.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -158.99 125.55 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.652 ' HA ' HD11 ' A' ' 91' ' ' ILE . 28.3 mt-30 -88.57 35.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.455 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 6.5 mtm180 -117.01 -15.44 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.496 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.1 t80 -77.26 -25.85 51.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.482 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 29.8 m-85 -106.13 13.62 28.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.066 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.455 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 70.3 m-20 -65.91 107.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.566 HD23 ' NE2' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -105.72 136.77 44.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.452 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 3.7 m -121.53 164.75 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 25.2 t -85.26 118.43 70.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 p -112.33 -20.74 11.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' SER . 18.5 ttt-85 -133.51 144.23 49.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.235 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.21 56.84 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.59 141.71 50.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.452 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 26.1 m170 -108.7 147.84 31.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 19.2 m-85 -126.27 134.81 51.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.02 101.56 45.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.1 Cg_endo -75.05 166.19 29.67 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.445 1.761 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.42 122.71 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.665 HD13 ' SG ' ' A' ' 70' ' ' CYS . 8.9 mt -86.83 129.14 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -135.32 132.71 38.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.67 123.96 8.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -79.46 113.35 17.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -67.91 -8.91 40.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -104.67 176.53 5.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.838 ' O ' HG22 ' A' ' 100' ' ' VAL . 30.4 p -128.33 -50.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -80.63 -30.5 36.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.026 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.424 ' OD1' HG13 ' A' ' 100' ' ' VAL . 3.8 p-10 -45.69 -24.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.838 HG22 ' O ' ' A' ' 97' ' ' SER . 22.0 m -67.61 -41.95 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -60.7 -39.47 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.1 t -57.59 -46.16 84.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.519 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 11.0 t80 -71.13 -33.82 70.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.35 -26.87 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -81.75 -37.64 26.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.678 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 4.2 pttt -75.6 35.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 105' ' ' ASP . 7.4 p30 -83.02 179.19 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 158.17 94.81 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 4.9 m-20 79.16 55.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.592 HG21 ' NZ ' ' A' ' 45' ' ' LYS . 1.1 m -137.09 166.71 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.745 ' C ' HD23 ' A' ' 111' ' ' LEU . 2.8 tt -104.63 129.14 52.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.726 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -109.99 143.28 40.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.731 ' CE3' HD12 ' A' ' 44' ' ' ILE . 22.2 t90 -141.3 154.53 45.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.469 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 56.26 179.86 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.08 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.456 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.0 m -125.55 126.7 45.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.614 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 5.3 t80 -79.84 150.68 30.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.0 OUTLIER -141.56 125.77 17.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.6 128.65 47.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -75.1 120.3 20.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.222 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 113.9 -110.79 2.49 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.478 1.111 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 106.41 90.22 2.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.85 123.68 29.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 0.8 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.55 ' HE1' HD11 ' A' ' 9' ' ' ILE . 12.8 t80 -77.12 102.26 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.9 111.01 10.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.957 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.55 HD11 ' HE1' ' A' ' 7' ' ' PHE . 40.7 mt -104.51 136.77 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -134.84 111.35 9.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' HA ' ' CE ' ' A' ' 67' ' ' LYS . . . -162.3 163.43 28.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' CE ' ' OD1' ' A' ' 13' ' ' ASN . 8.5 ttpt -84.97 -32.55 22.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.1 m-80 -114.61 141.92 47.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -133.3 142.02 48.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 22.9 m-85 -119.45 123.06 43.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.1 mm? -104.47 132.67 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.409 HG23 ' NE2' ' A' ' 57' ' ' HIS . 3.1 m -120.69 118.02 29.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.842 ' OH ' HD12 ' A' ' 60' ' ' ILE . 10.1 m-85 -108.47 101.29 42.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.08 137.48 21.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER 39.38 46.33 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.6 t -103.09 120.48 40.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -86.84 14.49 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 15.5 tp -70.99 135.89 48.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.7 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.9 p -85.7 156.86 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HD3' HD12 ' A' ' 111' ' ' LEU . 2.1 pptp? -64.54 -29.07 70.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -66.25 -47.85 72.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.7 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.4 m120 -66.36 -43.5 85.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -68.91 -35.08 76.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD22 ' HG1' ' A' ' 33' ' ' THR . 0.9 OUTLIER -69.22 -41.64 76.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.386 179.921 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.432 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 14.7 t -68.86 -45.19 71.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.93 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.608 ' O ' HD13 ' A' ' 35' ' ' LEU . 36.7 mt-30 -66.86 -47.38 72.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.4 mm -64.16 -45.39 96.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.591 ' HG1' HD22 ' A' ' 29' ' ' LEU . 45.1 m -64.03 -35.44 80.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.455 HD22 ' N ' ' A' ' 34' ' ' ASN . 1.6 m-80 -83.51 -9.97 58.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.48 118.67 17.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.612 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 16.8 mm-40 -80.32 164.38 23.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.602 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -145.34 161.89 39.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.939 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HD2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 -25.72 11.65 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -98.65 -93.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.692 ' H ' HG23 ' A' ' 39' ' ' THR . 0.9 OUTLIER 178.26 146.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.602 ' HG3' HG21 ' A' ' 37' ' ' THR . 8.7 mttp -90.27 121.07 31.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.676 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.3 tp -91.85 -57.41 2.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 62' ' ' ILE . 56.2 t80 -137.84 157.93 45.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.437 HD12 ' CE3' ' A' ' 113' ' ' TRP . 53.4 mt -138.65 116.86 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -114.19 128.24 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 69.0 mt -128.81 115.74 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 30.8 t -128.06 139.41 52.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 108.251 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.493 ' HA ' HD22 ' A' ' 58' ' ' LEU . 10.2 ttt180 -97.02 144.28 27.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.577 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 25.7 tt0 -143.76 133.82 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.55 HD13 ' HA ' ' A' ' 56' ' ' PRO . 1.8 mm? -98.44 134.56 41.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.477 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 22.3 m170 -85.68 156.14 20.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -77.29 -6.54 53.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.03 -6.24 59.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.49 0.31 70.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.477 ' HG3' ' HB2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -96.37 135.32 22.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.344 179.906 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 123.66 8.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.577 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 4.1 t-80 -109.9 155.47 21.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -132.27 138.12 47.75 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.822 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -117.14 142.67 46.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.641 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.842 HD12 ' OH ' ' A' ' 18' ' ' TYR . 22.8 mt -142.27 136.38 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.613 1.196 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.4 tm? -138.15 110.09 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.545 HG23 ' O ' ' A' ' 43' ' ' PHE . 3.3 mt -117.45 150.9 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -136.02 116.96 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 44.0 m-85 -90.87 157.42 17.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.676 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -60.21 -33.49 72.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 161.98 22.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 11' ' ' ALA . 22.5 mtpt -58.64 110.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 38' ' ' PRO . 2.9 t80 -87.4 139.19 30.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.406 HD22 ' N ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -96.89 119.19 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.773 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.2 t -115.26 67.37 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.33 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 7' ' ' PHE . 1.4 t -94.19 29.99 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -163.99 117.71 1.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 109.189 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.614 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -86.28 41.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -115.09 -19.03 11.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.612 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 13.0 t80 -76.59 -39.16 53.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.477 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 14.4 m-85 -88.31 12.12 14.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.938 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 71.0 m-20 -67.13 106.83 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.24 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.541 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -105.61 136.36 45.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.478 ' HB ' ' CD2' ' A' ' 86' ' ' HIS . 2.6 m -124.04 163.8 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.9 t -86.17 119.44 71.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -6.83 18.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.56 -19.66 13.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.7 OUTLIER -133.06 142.17 48.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.931 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -76.38 56.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.13 140.07 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.478 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 19.2 m170 -107.7 147.75 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.624 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 17.2 m-85 -126.43 131.59 51.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.75 103.56 47.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.642 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.4 Cg_endo -74.92 158.04 42.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -87.53 121.34 29.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.773 HD13 ' SG ' ' A' ' 70' ' ' CYS . 76.3 mt -85.16 127.72 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.18 132.6 38.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.74 114.45 4.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.37 113.5 22.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -152.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.546 ' O ' ' CB ' ' A' ' 97' ' ' SER . 0.6 OUTLIER -88.5 143.0 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 110.016 179.928 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.4 p 155.13 139.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' LYS . 3.6 p -80.13 -6.98 58.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -44.98 -25.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.511 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.3 m -67.64 -44.47 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.575 ' HG3' HD11 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -58.93 -43.22 91.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.3 m -57.67 -46.9 83.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 25.9 t80 -68.06 -34.32 76.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.528 HD11 ' CE2' ' A' ' 116' ' ' PHE . 62.8 mt -65.21 -40.06 87.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.04 -25.82 65.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -75.02 69.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.9 168.6 16.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.238 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 146.91 97.17 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 17.3 m-20 62.66 33.91 15.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.414 HG21 ' CE ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -122.13 166.66 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.224 -179.919 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.0 tt -104.81 145.46 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.552 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.9 tm-20 -130.91 122.6 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.619 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 20.5 t90 -132.47 154.2 50.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.602 1.189 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.619 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 63.4 -178.51 6.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.0 m -123.18 120.46 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 0.808 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 14.7 t80 -79.85 148.04 31.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.2 OUTLIER -146.55 126.76 13.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.575 HD11 ' HG3' ' A' ' 101' ' ' LYS . 3.7 mp -84.38 123.92 39.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.79 156.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.12 155.95 7.53 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.568 1.167 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.83 161.71 26.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.32 157.83 32.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 21.0 t80 -74.04 102.73 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.58 112.83 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.0 mt -108.05 134.35 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.239 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 109.68 8.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.46 163.89 27.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -87.53 -22.67 24.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.376 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.83 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 3.2 m-80 -115.61 135.97 53.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 6.6 m-85 -133.55 134.77 43.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.542 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 46.8 m-85 -120.25 127.07 52.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.762 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.5 mm? -104.74 133.98 48.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.598 HG23 ' NE2' ' A' ' 57' ' ' HIS . 13.8 m -120.04 125.48 48.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.368 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.566 ' CE2' ' HG3' ' A' ' 89' ' ' PRO . 3.8 m-85 -117.8 101.56 51.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.0 139.77 24.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER 38.11 42.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.517 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 10.0 t -98.63 122.74 42.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -86.6 12.34 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 tp -71.11 134.71 47.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.717 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.6 p -86.72 162.09 18.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -69.74 -29.17 66.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -47.4 73.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.717 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 3.0 m120 -67.0 -43.78 82.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.66 -35.85 77.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.376 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.612 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.5 tm? -68.09 -42.27 80.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.0 m -71.18 -38.88 72.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 20.4 mt-30 -70.63 -36.28 73.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.663 HD13 ' CD2' ' A' ' 35' ' ' LEU . 5.6 mm -63.75 -36.16 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -41.68 93.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 110.455 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -73.69 -11.78 60.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.663 ' CD2' HD13 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -74.45 114.69 13.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.638 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 6.9 mt-30 -84.89 162.96 19.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.655 HG21 ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -146.24 158.11 48.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -75.0 -26.1 11.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.778 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -93.09 -102.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.376 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.596 ' H ' HG23 ' A' ' 39' ' ' THR . 0.7 OUTLIER -173.38 138.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.666 ' O ' HD12 ' A' ' 42' ' ' LEU . 8.8 mtpp -83.96 152.77 24.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 41' ' ' LYS . 3.0 mp -132.11 -87.58 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 42.2 t80 -102.77 152.84 20.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.067 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.972 HD12 ' CE3' ' A' ' 113' ' ' TRP . 25.2 mt -138.0 115.59 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 0.4 OUTLIER -119.64 121.27 38.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.612 HD12 ' HB2' ' A' ' 29' ' ' LEU . 78.7 mt -117.41 114.17 44.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.4 t -113.83 138.76 49.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 108.336 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -98.14 142.71 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -147.95 133.27 18.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.916 HD13 ' HA ' ' A' ' 56' ' ' PRO . 2.5 mm? -98.66 134.94 40.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.567 ' CD2' ' CB ' ' A' ' 57' ' ' HIS . 34.8 m170 -80.86 148.99 29.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.44 -6.87 38.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -83.92 1.86 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.42 2.24 89.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 20' ' ' LYS . 12.6 pt-20 -96.6 136.04 22.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.916 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.04 124.08 8.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.598 ' NE2' HG23 ' A' ' 17' ' ' THR . 5.3 t-80 -112.27 154.59 25.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.655 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.883 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -131.38 141.2 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.883 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -120.11 144.45 47.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.64 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.547 HD11 ' HB1' ' A' ' 28' ' ' ALA . 13.4 mt -140.85 138.16 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -138.46 111.6 7.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.593 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 3.3 mt -122.36 151.72 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.538 ' OE1' ' CG ' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -132.26 145.56 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 59.0 m-85 -119.86 156.62 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -33.69 73.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.73 160.33 21.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -59.08 118.08 5.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.282 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.557 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 3.8 t80 -93.88 140.8 29.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.434 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -101.33 111.7 24.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.741 ' SG ' HD13 ' A' ' 91' ' ' ILE . 6.1 t -107.28 69.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.4 t -94.88 31.1 1.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -164.5 116.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.553 ' HA ' HD11 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -82.21 46.14 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 1.2 mmp_? -119.15 -18.78 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.638 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 4.7 t80 -77.06 -37.47 54.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.762 ' CE1' HD21 ' A' ' 16' ' ' LEU . 26.2 m-85 -90.66 12.66 18.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 67.0 m-20 -67.08 106.51 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -108.94 136.69 48.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' CG1' ' CD2' ' A' ' 86' ' ' HIS . 3.1 m -121.58 164.13 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 6.6 t -85.82 118.41 70.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.82 13.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 111.046 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.2 p -112.81 -20.66 11.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 17.6 ttt85 -133.71 143.64 48.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.242 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 56.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.63 138.02 49.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 28.4 m170 -102.67 147.82 26.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 11.9 m-85 -126.32 128.35 46.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.97 101.41 44.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.618 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.566 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.6 Cg_endo -74.95 164.79 32.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -96.4 125.09 40.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.741 HD13 ' SG ' ' A' ' 70' ' ' CYS . 13.1 mt -85.39 129.2 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.11 133.03 38.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.53 125.01 8.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.83 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -76.99 114.38 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -12.42 28.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.7 161.37 21.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.946 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.839 ' O ' HG22 ' A' ' 100' ' ' VAL . 90.2 p -103.77 -30.13 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.954 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.9 m -80.72 -29.49 36.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.584 ' OD2' ' HB1' ' A' ' 94' ' ' ALA . 3.6 p30 -45.99 -24.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 97' ' ' SER . 23.0 m -67.95 -41.58 84.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -60.02 -40.48 89.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.82 -47.15 83.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.585 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 19.7 t80 -71.61 -33.83 69.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.13 -34.79 61.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -25.04 65.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 69.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.22 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.07 -175.05 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 110' ' ' VAL . . . 120.31 96.3 1.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 51.71 67.72 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 108' ' ' GLY . 14.4 m -141.07 164.41 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.72 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.5 tt -105.36 147.23 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.72 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.4 mp0 -133.07 123.35 25.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.972 ' CE3' HD12 ' A' ' 44' ' ' ILE . 9.5 t90 -135.29 154.74 51.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 107.997 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.598 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 66.06 173.83 5.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 111.084 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.469 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -124.16 121.49 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 0.731 . . . . 0.0 110.391 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.69 ' CZ ' HG21 ' A' ' 100' ' ' VAL . 4.4 t80 -79.95 148.65 31.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.0 OUTLIER -142.08 103.98 4.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.958 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.403 HG13 ' CE1' ' A' ' 116' ' ' PHE . 19.2 mt -81.35 146.28 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -82.19 128.87 34.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 157.65 150.33 5.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.317 179.988 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.73 -173.21 24.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.429 1.081 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -131.62 145.8 51.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 0.724 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 17.0 t80 -78.19 101.74 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.428 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.1 OUTLIER -133.56 118.32 18.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.995 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 mt -110.93 135.09 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.61 111.16 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.2 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.38 163.32 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -87.5 -25.67 23.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.84 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 8.4 m-80 -118.71 138.55 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 10.0 m-85 -132.81 141.86 48.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.673 ' CE1' HD23 ' A' ' 61' ' ' LEU . 25.7 m-85 -120.4 123.57 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.64 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.6 mm? -106.0 132.19 52.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -120.64 121.49 38.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.646 ' OH ' HD12 ' A' ' 60' ' ' ILE . 9.5 m-85 -109.01 101.75 45.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.06 135.59 19.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.4 tttt 39.47 53.61 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 8.7 t -112.45 123.38 50.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 108.317 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.62 13.38 8.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.21 134.91 47.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.422 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.3 p -86.56 162.51 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -69.81 -28.19 65.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.357 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -47.64 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.422 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 4.3 m120 -67.57 -43.83 79.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.75 -35.87 79.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.659 HD22 ' HG1' ' A' ' 33' ' ' THR . 1.3 tm? -69.34 -41.5 76.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -44.67 75.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 32.2 mt-30 -68.47 -48.12 65.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.482 HG21 HD11 ' A' ' 62' ' ' ILE . 3.4 mm -62.69 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.659 ' HG1' HD22 ' A' ' 29' ' ' LEU . 52.2 m -62.88 -38.77 92.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -81.87 -7.06 59.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -74.61 118.28 17.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.923 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.58 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.76 161.88 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.571 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.9 OUTLIER -148.16 153.59 41.51 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.534 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 -2.85 13.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.527 1.804 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.63 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -115.26 -105.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.467 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.63 ' H ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -170.6 136.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' NZ ' HG21 ' A' ' 62' ' ' ILE . 5.9 mtpp -90.39 119.23 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.381 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.685 HD23 ' HG2' ' A' ' 117' ' ' GLN . 1.8 tp -96.61 -82.92 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' HB3' ' CG ' ' A' ' 63' ' ' GLN . 53.7 t80 -103.02 153.11 20.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.649 HG12 HG23 ' A' ' 62' ' ' ILE . 88.7 mt -143.61 116.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HE2' ' CG2' ' A' ' 110' ' ' VAL . 0.0 OUTLIER -119.18 126.21 51.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.448 HG22 ' HB3' ' A' ' 25' ' ' LYS . 34.1 mt -128.81 114.47 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.417 ' SG ' HG11 ' A' ' 110' ' ' VAL . 40.1 t -125.77 138.45 53.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 108.345 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.443 ' HG3' HD22 ' A' ' 58' ' ' LEU . 3.9 ttp-105 -103.19 141.63 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -149.06 133.71 17.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' ' 56' ' ' PRO . 7.9 mp -98.65 135.18 40.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -81.6 157.72 24.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.544 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.41 -5.45 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -81.16 -1.32 44.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.371 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.42 90.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.03 133.67 24.9 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.531 0.783 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.441 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.99 123.27 7.76 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.417 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 4.2 t-80 -115.85 155.3 28.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.787 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -132.36 135.34 46.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.787 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -113.32 143.06 45.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.58 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.646 HD12 ' OH ' ' A' ' 18' ' ' TYR . 34.4 mt -142.49 137.07 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.673 HD23 ' CE1' ' A' ' 15' ' ' PHE . 1.8 tm? -138.68 109.78 6.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.649 HG23 HG12 ' A' ' 44' ' ' ILE . 5.2 mt -120.05 148.46 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.461 ' CG ' ' HB3' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -137.21 116.82 12.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -90.4 155.96 18.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -33.4 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.42 158.07 16.21 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -59.34 112.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.416 ' CD2' ' CE2' ' A' ' 14' ' ' TYR . 3.7 t80 -88.3 139.26 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.47 109.58 21.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.618 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.2 t -106.75 69.86 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.353 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.428 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 1.8 t -96.26 31.57 2.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -162.55 126.96 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.243 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.743 ' HA ' HD11 ' A' ' 91' ' ' ILE . 3.4 pt20 -88.16 36.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -116.18 -14.0 11.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.308 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.58 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.4 t80 -77.31 -40.38 44.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.64 ' CE1' HD21 ' A' ' 16' ' ' LEU . 27.9 m-85 -90.18 14.05 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.934 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.467 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 66.0 m-20 -65.84 106.23 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.505 HD13 ' CE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -109.03 136.56 48.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.9 m -123.47 163.93 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 6.0 t -85.9 119.37 71.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -4.4 15.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.426 1.75 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.06 -20.3 12.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 80' ' ' SER . 20.2 ttm180 -133.41 143.7 49.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.25 54.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.01 134.69 48.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -102.01 146.76 27.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.661 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.5 m-85 -126.43 132.34 51.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.67 101.11 50.38 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 109.596 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.579 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 161.95 37.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.39 123.62 32.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.743 HD11 ' HA ' ' A' ' 73' ' ' GLN . 9.7 mt -87.19 129.14 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -135.24 132.72 38.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.87 113.39 4.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.84 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.44 113.64 22.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -65.42 -138.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.554 ' O ' ' CB ' ' A' ' 97' ' ' SER . 15.4 t -97.2 142.7 28.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.956 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.1 t 154.47 139.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.2 m -80.19 -5.89 56.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -44.46 -26.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.56 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 19.4 m -67.52 -43.06 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -57.54 -46.17 84.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.5 m -58.34 -41.75 85.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.503 ' O ' ' CG ' ' A' ' 106' ' ' LYS . 9.1 t80 -70.17 -35.7 74.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 100' ' ' VAL . 70.4 mt -66.32 -25.53 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -78.71 -29.71 45.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -72.31 58.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -82.72 -179.91 7.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 140.17 99.42 0.41 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 8.8 m-20 63.37 33.89 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.481 ' CG2' ' HE2' ' A' ' 45' ' ' LYS . 2.6 m -117.3 167.94 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 112' ' ' GLU . 5.0 tt -104.29 136.17 44.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.211 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.753 ' N ' HD23 ' A' ' 111' ' ' LEU . 13.7 tt0 -121.43 133.58 55.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.677 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.0 t90 -141.47 153.67 45.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.677 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 57.11 -179.42 0.72 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.8 m -124.02 131.59 53.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 110.406 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.56 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 32.2 t80 -79.82 150.92 30.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.685 ' HG2' HD23 ' A' ' 42' ' ' LEU . 58.8 mm-40 -104.78 115.46 30.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.9 124.16 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.85 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 154.6 -80.79 0.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -127.44 -115.84 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -131.98 154.92 48.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 11.2 t80 -79.0 103.1 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.92 109.82 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 7' ' ' PHE . 39.4 mt -102.51 133.51 46.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.69 110.47 9.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.32 163.64 27.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -23.89 23.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.798 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.3 m-80 -114.56 136.2 53.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -133.17 133.49 42.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 35.3 m-85 -119.6 126.19 50.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.596 HD21 ' CE1' ' A' ' 76' ' ' PHE . 1.7 mm? -104.72 131.6 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.434 HG23 ' NE2' ' A' ' 57' ' ' HIS . 20.7 m -119.54 131.42 55.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.804 ' OH ' HD12 ' A' ' 60' ' ' ILE . 2.1 m-85 -123.35 103.51 35.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.91 134.61 18.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 39.63 58.19 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -112.02 124.66 52.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.143 . . . . 0.0 108.354 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -86.18 10.48 14.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 tp -71.21 134.47 46.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.651 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 7.0 p -86.89 161.97 17.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.365 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.34 -28.83 66.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.18 -47.62 73.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.651 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.9 m120 -68.29 -44.07 76.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 32' ' ' ILE . . . -67.42 -35.95 80.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.732 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.3 tm? -67.91 -47.69 68.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -44.05 91.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.427 ' CD ' HD23 ' A' ' 78' ' ' LEU . 51.5 mt-30 -65.09 -36.25 83.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.717 HD13 ' CD2' ' A' ' 35' ' ' LEU . 6.1 mm -65.43 -33.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.507 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.77 -41.06 92.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.439 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -74.32 -12.37 60.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.717 ' CD2' HD13 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -73.49 115.14 12.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.63 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -87.08 161.95 17.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.529 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -147.54 155.87 45.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.02 -6.26 17.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.549 1.815 . . . . 0.0 110.95 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.613 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -111.93 -107.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.613 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.2 t30 -170.69 143.92 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.635 ' HZ1' HG21 ' A' ' 62' ' ' ILE . 8.5 mtpp -91.09 118.36 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.512 HD13 ' HB2' ' A' ' 65' ' ' GLU . 1.1 tp -91.25 -63.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 61.5 t80 -137.23 161.14 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.708 HD12 ' CE3' ' A' ' 113' ' ' TRP . 39.1 mt -136.31 135.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -128.41 108.07 10.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.732 HD12 ' HB2' ' A' ' 29' ' ' LEU . 50.2 mt -114.49 115.02 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 m -124.97 138.83 54.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 4.1 ttt85 -96.93 144.17 27.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.752 ' C ' HD12 ' A' ' 50' ' ' LEU . 25.0 tp10 -145.91 139.38 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.752 HD12 ' C ' ' A' ' 49' ' ' GLU . 7.5 mp -125.22 135.85 52.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -91.34 158.11 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.96 -4.89 18.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -80.09 -2.32 43.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.66 6.7 89.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 6.5 pt-20 -95.93 122.8 57.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.441 ' HA ' ' HG ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.01 124.84 8.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 58' ' ' LEU . 7.1 t-80 -116.18 153.66 31.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.859 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -132.59 140.38 48.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.859 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -124.25 137.3 54.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.804 HD12 ' OH ' ' A' ' 18' ' ' TYR . 65.7 mt -135.23 139.85 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.083 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.614 HD22 ' N ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -138.48 111.02 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.635 HG21 ' HZ1' ' A' ' 41' ' ' LYS . 8.5 mt -117.33 146.62 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.57 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -131.57 119.17 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.353 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 40' ' ' ASN . 56.0 m-85 -93.76 156.82 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.512 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.97 -33.68 74.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.08 163.15 21.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.159 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -59.43 119.33 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.534 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 5.0 t80 -97.48 142.47 29.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.422 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -102.78 115.72 31.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.509 ' SG ' HD13 ' A' ' 91' ' ' ILE . 12.7 t -111.98 69.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.7 OUTLIER -93.18 29.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -164.6 115.92 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.824 ' HG2' HD12 ' A' ' 91' ' ' ILE . 2.8 mt-30 -82.03 48.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -119.98 -18.48 8.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.938 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 3.4 t80 -76.88 -38.75 53.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' HD21 ' A' ' 16' ' ' LEU . 22.0 m-85 -88.77 13.17 13.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.417 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.9 m-20 -66.66 109.2 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.427 HD23 ' CD ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -110.15 137.76 47.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 m -122.91 164.22 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 8.1 t -85.55 118.4 70.6 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -1.91 11.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.434 1.755 . . . . 0.0 111.017 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.1 p -114.25 -20.67 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.1 OUTLIER -133.63 144.41 49.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.3 t -77.07 55.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.067 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.35 136.62 50.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -102.09 147.59 26.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.638 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.0 m-85 -126.31 131.52 51.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.76 101.51 44.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.505 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.0 157.82 42.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.394 1.734 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -87.5 126.56 34.98 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.824 HD12 ' HG2' ' A' ' 73' ' ' GLN . 5.7 mt -94.71 120.19 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -135.58 132.46 37.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.71 128.14 9.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.798 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -76.99 113.88 15.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -7.79 43.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.432 ' HB3' ' CB ' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -101.28 176.02 5.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.805 ' O ' HG22 ' A' ' 100' ' ' VAL . 13.6 p -127.46 -55.96 1.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -80.36 -28.96 37.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.432 ' CB ' ' HB3' ' A' ' 96' ' ' SER . 35.4 t0 -45.99 -24.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 97' ' ' SER . 22.0 m -67.75 -41.21 85.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.244 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.5 OUTLIER -60.52 -39.68 88.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -46.68 84.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 1.3 t80 -70.77 -32.96 70.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.8 mt -60.61 -29.32 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.569 1.168 . . . . 0.0 109.349 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.15 -25.11 62.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -74.01 67.94 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -83.06 -175.79 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.43 69.53 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 72.6 74.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.85 164.98 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.812 HD23 ' N ' ' A' ' 112' ' ' GLU . 4.5 tt -105.08 138.95 40.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.812 ' N ' HD23 ' A' ' 111' ' ' LEU . 15.6 tt0 -122.62 132.79 54.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.708 ' CE3' HD12 ' A' ' 44' ' ' ILE . 30.5 t90 -139.57 149.47 43.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.429 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 68.4 -179.13 21.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.402 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 2.1 m -123.3 116.45 23.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 0.707 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 63' ' ' GLN . 4.6 t80 -79.61 149.76 31.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.441 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -146.99 130.39 16.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.09 . . . . 0.0 110.326 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.3 mm -79.38 135.96 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.392 1.058 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -72.65 -55.02 7.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -83.59 -163.15 34.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.442 0.73 . . . . 0.0 110.306 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 98.2 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -144.76 -125.35 1.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -131.6 142.21 49.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 0.718 . . . . 0.0 110.219 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 10.9 t80 -79.01 102.4 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -132.6 114.42 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.53 HD11 ' CE1' ' A' ' 7' ' ' PHE . 29.3 mt -103.89 134.16 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 111.84 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.35 163.42 27.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -82.82 -35.62 26.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.69 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.7 m-80 -113.04 138.98 49.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -130.33 142.18 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.602 ' CE1' HD23 ' A' ' 61' ' ' LEU . 6.7 m-85 -120.51 126.92 51.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.0 mm? -103.52 130.61 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 m -118.77 117.22 28.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.587 ' OH ' HD12 ' A' ' 60' ' ' ILE . 6.8 m-85 -110.2 99.18 38.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.4 Cg_endo -74.9 144.59 30.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' CG ' ' HB2' ' A' ' 55' ' ' GLU . 7.9 mttt 39.06 35.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 7.1 t -100.72 117.02 33.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 108.39 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -87.25 15.22 6.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 tp -67.29 138.42 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.554 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.3 p -86.51 162.99 17.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.65 -28.4 64.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.454 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -66.45 -47.61 72.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.931 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.554 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.4 m120 -67.23 -43.98 80.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -68.87 -33.88 74.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.666 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.3 tm? -69.11 -44.36 72.59 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 37.4 t -67.87 -45.56 74.18 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.525 1.141 . . . . 0.0 109.955 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' HD13 ' A' ' 35' ' ' LEU . 33.5 mt-30 -65.26 -47.63 76.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 5.9 mm -65.12 -46.14 92.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.604 ' OG1' HD22 ' A' ' 29' ' ' LEU . 55.2 m -62.42 -36.27 81.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.385 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 30' ' ' SER . 22.5 m120 -80.15 -12.71 59.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.191 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.26 115.91 14.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.517 ' O ' ' CE2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -77.24 161.87 27.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.933 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.734 ' OG1' HG22 ' A' ' 39' ' ' THR . 1.3 t -148.06 152.14 39.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.434 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.07 -1.46 11.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.734 HG22 ' OG1' ' A' ' 37' ' ' THR . 0.1 OUTLIER -111.63 -107.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.391 1.057 . . . . 0.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.623 ' H ' HG23 ' A' ' 39' ' ' THR . 0.4 OUTLIER -171.62 129.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HG3' HG21 ' A' ' 37' ' ' THR . 8.1 mtpp -87.86 119.57 28.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.545 HD11 ' N ' ' A' ' 65' ' ' GLU . 5.8 mp -94.47 -88.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 112' ' ' GLU . 44.0 t80 -103.09 155.88 18.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 112' ' ' GLU . 80.2 mt -142.12 115.33 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -115.9 128.61 55.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 29' ' ' LEU . 39.2 mt -126.92 116.18 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.79 139.8 53.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.559 ' HD3' HD23 ' A' ' 58' ' ' LEU . 12.9 ttp180 -96.78 140.56 31.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 57' ' ' HIS . 22.1 tt0 -131.2 132.03 44.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -100.03 135.84 40.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 24.5 m170 -88.43 155.97 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.632 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -6.77 51.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -87.54 -1.36 57.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.2 6.16 81.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 12.4 pt-20 -96.3 131.26 28.94 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.53 31.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.454 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 4.6 t-80 -139.24 146.78 40.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.534 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.907 HD13 ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -124.57 143.49 50.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.907 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -123.49 148.28 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.677 179.916 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.587 HD12 ' OH ' ' A' ' 18' ' ' TYR . 4.4 mt -141.24 142.51 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.602 HD23 ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -139.24 111.79 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.524 ' N ' HD22 ' A' ' 61' ' ' LEU . 4.3 mt -115.47 154.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.574 ' OE1' ' CE1' ' A' ' 116' ' ' PHE . 3.3 tt0 -130.72 116.05 17.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.465 ' CE2' ' CD2' ' A' ' 68' ' ' TYR . 72.9 m-85 -93.06 149.84 20.94 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.465 1.103 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.545 ' N ' HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.88 -34.56 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.92 168.7 22.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -58.65 106.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.521 ' HB2' HG21 ' A' ' 39' ' ' THR . 12.9 t80 -87.23 138.94 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.552 HD22 ' N ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -97.17 127.76 43.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.693 ' SG ' HG21 ' A' ' 91' ' ' ILE . 6.4 t -126.03 68.66 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 71' ' ' THR . 1.3 t -93.66 29.02 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -153.98 125.42 7.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.538 ' HA ' HD11 ' A' ' 91' ' ' ILE . 2.2 pt20 -89.26 31.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.47 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 9.0 mtm180 -118.67 -11.87 9.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 36' ' ' GLN . 3.2 t80 -77.88 -21.65 50.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' HE2' ' HG ' ' A' ' 70' ' ' CYS . 30.2 m-85 -113.12 13.9 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.47 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 64.7 m-20 -66.15 105.07 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.583 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -104.05 136.76 43.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.468 HG12 ' CG ' ' A' ' 86' ' ' HIS . 4.0 m -120.69 163.7 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.4 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 5.9 t -85.93 119.16 71.64 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -2.76 12.95 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.3 p -112.29 -20.78 11.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -133.8 143.6 48.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -76.15 56.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.64 141.35 50.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.179 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.468 ' CG ' HG12 ' A' ' 79' ' ' VAL . 28.4 m170 -108.52 148.27 30.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.54 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 18.1 m-85 -126.19 133.27 51.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -108.86 101.04 42.52 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.587 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -75.03 165.87 30.36 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.55 125.41 40.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.693 HG21 ' SG ' ' A' ' 70' ' ' CYS . 11.1 mt -93.7 122.02 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.4 133.3 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.247 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.08 119.82 5.55 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.69 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.2 113.38 22.19 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.65 -151.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.542 ' O ' ' CB ' ' A' ' 97' ' ' SER . 2.6 t -87.87 142.99 27.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.064 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 156.47 140.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' LYS . 1.4 m -80.21 -6.52 57.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -45.03 -26.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.544 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 17.5 m -68.1 -42.86 85.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -63.46 -40.61 97.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -49.76 75.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.62 -34.28 77.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 54.0 mt -63.89 -41.35 92.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.397 1.061 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.76 -29.04 68.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.13 74.93 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.431 ' HA ' HG11 ' A' ' 110' ' ' VAL . 32.9 m-20 -82.39 178.11 8.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 133.03 98.18 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 58.6 m-20 63.45 36.09 11.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.551 ' CG2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -120.62 167.04 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 112' ' ' GLU . 1.1 tt -128.7 115.74 18.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.638 ' N ' HD23 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -106.49 144.72 32.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.561 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 10.8 t90 -137.8 146.25 43.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.561 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 68.91 -167.15 46.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.15 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.5 m -126.37 128.58 47.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CE1' ' OE1' ' A' ' 63' ' ' GLN . 43.5 t80 -79.81 151.42 30.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -104.74 150.19 24.97 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 120' ' ' GLY . 21.2 mm -97.02 133.39 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.26 -53.91 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 118' ' ' ILE . . . -101.77 -150.95 23.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 -179.999 . . . . . . . . 0 0 . 1 stop_ save_