data_1cxr_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 1cxr _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 ' 1' ' ' THR . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.5 m -140.0 112.13 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.4 m -99.99 124.84 45.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.0 161.81 53.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.331 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.14 7.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -151.05 166.87 29.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -27.08 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.81 -28.67 45.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.38 -20.41 63.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -90.0 9.7 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -67.93 -24.58 65.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -77.39 -19.36 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -79.87 -4.64 53.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -70.77 -14.33 62.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.99 -14.73 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.04 -44.57 9.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -65.99 -20.86 66.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.245 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -89.94 163.05 33.69 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 67.33 5.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.67 -62.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m 54.53 54.32 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -74.44 -51.68 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -84.21 -29.82 26.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 74.41 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 mp -89.98 60.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.1 m -63.52 -35.62 81.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.28 -37.96 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.3 m -89.98 -35.7 15.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -89.98 32.16 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -140.0 17.13 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.89 -39.05 3.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -64.87 -179.14 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.11 176.35 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.7 mt -100.0 115.86 42.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 pt -99.94 156.58 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.04 93.54 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 44.42 48.53 8.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.7 m -133.61 88.32 2.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.384 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 m -70.08 154.83 94.31 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.62 20.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.13 -16.97 53.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -58.26 -44.06 88.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -106.95 -37.41 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 51.17 61.66 3.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.02 156.24 46.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.73 148.38 52.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 160.81 59.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.17 8.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -122.26 147.64 45.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.8 pt -71.61 -24.0 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.81 -38.36 82.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.6 77.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -72.42 -34.61 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 p -70.43 -33.78 71.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -76.2 -30.46 58.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.89 -19.9 66.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.75 -26.08 65.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.32 -32.04 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.6 m -77.93 -33.03 51.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.309 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -69.24 -36.52 77.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.69 162.56 73.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.56 -69.94 0.97 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -102.35 -85.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.804 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 76.33 -56.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -40.02 -62.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.16 138.31 57.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.7 mt -89.99 119.52 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.3 m -90.0 1.22 56.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.08 12.65 17.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.4 p -90.09 -125.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -89.96 40.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 m -109.13 28.62 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.437 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 -55.34 4.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.9 m -70.13 156.52 39.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.6 pt -133.34 -172.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.1 mt -100.01 131.91 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 pt -124.13 152.83 67.79 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.6 38.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.59 72.75 1.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -157.11 -94.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.377 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -140.07 155.63 46.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.9 m -66.65 154.88 90.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.272 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.31 11.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.28 -0.8 89.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.8 -51.09 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -120.04 59.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.06 71.32 9.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' A' ' 2' ' ' THR . 8.8 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.495 ' N ' ' OG1' ' A' ' 1' ' ' THR . 61.0 m -136.72 123.44 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.3 m -100.09 146.1 27.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.09 140.05 36.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.74 15.68 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 p -147.63 157.79 43.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.954 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.0 tt -75.8 -25.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.29 -41.12 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.01 -26.46 65.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -74.45 -29.21 61.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 t -71.21 -15.37 62.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -89.93 -2.78 58.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.86 -3.12 46.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -63.45 -22.08 66.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.23 -26.82 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 -21.68 42.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -87.36 -32.04 19.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.77 172.63 2.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 66.65 5.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.29 32.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.158 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' SER . 6.7 t -159.94 34.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 23' ' ' GLU . 24.7 p 38.36 -131.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.504 ' N ' ' OG ' ' A' ' 22' ' ' SER . 4.2 mp0 -90.05 54.53 2.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.37 -69.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.4 mm -90.03 100.48 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' THR . 19.9 p -74.31 -13.39 60.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.55 88.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -80.05 -23.98 41.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -86.42 -19.94 28.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' CYS . 11.8 t -104.93 -22.54 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.66 -39.13 2.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.1 m -55.6 161.03 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.4 pt -119.68 145.98 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.3 mt -100.03 129.5 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.62 158.59 72.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -80.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.94 -140.24 10.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.27 66.2 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.5 m -103.5 -4.05 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.7 m -61.91 153.9 70.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 108.337 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.62 12.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.45 -29.68 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -62.44 -25.7 68.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -72.21 -18.18 61.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 75.59 -65.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.401 ' N ' HH22 ' A' ' 17' ' ' ARG . 56.1 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.7 m -99.98 142.04 31.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.7 m -113.26 149.06 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 108.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.01 163.85 41.58 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.21 17.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 m -142.05 143.87 33.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 pt -60.89 -28.73 43.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.08 -50.61 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.27 70.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -70.19 -40.23 74.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 p -72.08 -25.49 61.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -73.11 -17.27 61.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -89.98 -0.71 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -64.32 -29.86 70.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 m -72.62 -20.6 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.79 -37.3 24.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 108.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.401 HH22 ' N ' ' A' ' 1' ' ' THR . 25.9 mmt180 -72.98 -45.85 55.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mp -77.2 160.0 76.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.49 12.61 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.542 1.811 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.11 -41.68 38.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' SER . 80.3 m -135.08 -76.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.406 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' THR . 4.0 t 35.77 60.37 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -86.28 -48.13 8.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.32 -162.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.2 mt -67.7 104.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.0 m -89.96 -1.27 57.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.282 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.22 -26.38 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.8 m -88.21 -15.92 34.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -90.01 -33.2 16.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 t -100.05 -31.5 11.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.15 34.78 5.26 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -89.93 172.67 8.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.2 pt -123.91 151.81 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.6 mt -99.92 147.85 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 pt -100.01 146.03 31.22 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 57.73 4.63 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.56 46.73 12.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -156.93 -93.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -140.02 158.19 44.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.13 145.33 81.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.257 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -174.16 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.9 51.59 4.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.0 -60.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -120.78 -49.82 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 50.42 54.41 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.7 m -139.98 142.92 36.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 m -115.96 144.39 44.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 108.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.97 160.9 49.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.84 9.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -145.1 163.49 34.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -29.82 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.54 -37.64 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -29.49 69.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -65.39 -27.51 68.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 t -75.78 -32.49 59.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.949 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -76.23 -14.09 60.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -89.14 4.56 48.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -74.24 -20.31 60.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.6 m -62.37 -30.76 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 m -76.0 -37.26 58.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -31.87 69.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -75.81 148.57 82.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 84.76 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.09 -66.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 m 64.7 136.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -63.96 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -90.0 -75.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.21 -70.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.3 mt -90.0 62.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -28.9 68.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.69 -33.54 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.0 m -89.97 -37.48 14.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -90.04 32.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.3 t -140.01 18.07 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.369 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.8 -41.19 2.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.99 162.01 3.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.8 pt -139.38 -179.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -99.98 126.82 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.4 pt -100.04 138.7 20.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 69.34 5.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 68.57 91.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . 34.66 60.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -140.01 65.01 1.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.0 m -71.76 142.31 85.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 171.96 17.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.31 -21.4 70.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.51 -43.13 81.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -89.9 -48.88 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 75.89 -63.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.4 m -140.01 141.03 36.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.19 113.81 27.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.352 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.6 m -126.29 151.21 71.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.76 10.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 7' ' ' ILE . 24.9 m -100.02 -43.16 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.443 ' CB ' ' O ' ' A' ' 6' ' ' SER . 1.0 OUTLIER 83.49 -14.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.1 t -86.22 -22.86 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.11 -15.22 63.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -55.07 -32.45 61.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.6 p -58.43 -34.91 71.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -81.59 -35.51 30.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -69.45 -23.72 63.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.44 -24.86 68.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.0 t -66.65 -32.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.5 m -78.12 -36.95 47.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 108.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -66.42 -37.66 85.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.81 161.23 69.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.75 12.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.55 -59.48 3.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 22' ' ' SER . 80.6 p -131.41 -77.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.421 ' N ' ' OG1' ' A' ' 21' ' ' THR . 4.9 p 59.89 23.3 12.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -90.01 -55.79 3.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.77 167.65 13.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.1 mt -88.11 123.19 40.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.1 m -86.68 -29.29 22.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.153 . . . . 0.0 108.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.12 -28.12 24.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.34 -45.71 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -65.08 -25.75 67.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.6 p -100.04 -22.66 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.55 13.72 82.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 m -89.99 -174.74 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.2 163.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.2 mt -99.98 135.56 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -126.17 162.14 47.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -53.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.69 129.07 1.04 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 48.95 37.94 11.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.9 m -140.02 75.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -92.83 119.67 67.68 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.54 8.46 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.75 55.52 4.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.07 -56.22 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -138.83 -51.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 75.42 -64.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.9 m120 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 m -140.03 141.31 36.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.07 112.34 15.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 108.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.8 m -100.05 152.32 37.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.241 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.54 1.811 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 p -99.97 160.02 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 pt -87.54 -7.81 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.74 -40.22 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.93 -27.66 69.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -62.96 -29.96 71.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 t -67.85 -40.91 83.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.049 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -67.97 -32.11 72.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -90.0 40.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -90.05 -43.48 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.3 t -71.12 -27.89 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.97 7.98 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.345 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -90.0 -55.51 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -55.78 160.94 3.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' N ' HD22 ' A' ' 18' ' ' LEU . 18.2 Cg_endo -75.01 83.78 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.79 -51.57 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m 61.19 99.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 t -53.92 -63.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -90.03 -89.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.94 -94.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.9 mm -90.07 85.99 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.6 m -85.76 -13.53 47.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 108.346 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 -44.75 63.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.333 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 p -71.84 -37.04 70.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.05 -23.48 67.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.0 p -99.98 6.2 45.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.73 20.02 65.78 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 62.0 m -90.04 171.54 9.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 pt -99.96 162.74 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.2 mt -99.98 140.4 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 2.2 pp -138.89 141.87 31.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.0 -168.3 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.527 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -38.36 96.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.527 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . 30.66 71.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.7 m -139.92 79.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.2 m -102.57 153.39 38.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.318 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.31 12.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.41 -16.37 29.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.33 -27.37 52.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -114.39 12.8 17.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.27 72.99 9.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.6 m -108.21 136.2 48.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.07 140.48 48.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 108.312 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 87.4 m -122.16 152.48 60.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -59.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -99.97 161.07 13.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.99 -29.35 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.38 -43.48 97.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.62 79.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -68.77 -43.35 75.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.2 t -59.35 -34.01 71.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -76.68 -42.66 40.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -62.93 -30.41 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -58.79 -32.98 69.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.9 t -70.03 -27.92 34.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.0 t -77.38 -21.72 52.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 108.32 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -89.55 -31.54 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.99 164.08 59.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.21 13.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.38 -39.88 93.41 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -134.64 -78.09 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 110.38 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 t 41.35 66.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -88.25 -56.01 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.7 -157.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.8 mt -78.9 94.06 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.97 -7.21 54.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.16 -41.48 17.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 m -89.96 -28.26 19.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.96 25.79 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 t -139.95 17.13 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.59 -41.24 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.6 m -60.4 178.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 pt -133.94 174.55 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.98 122.1 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 pt -139.25 151.99 68.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.38 145.47 26.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 54.13 35.35 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.354 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.8 m -139.99 67.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.03 131.03 22.2 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.96 41.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.432 1.754 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.55 -18.52 75.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 44' ' ' TYR . 52.1 p-10 -55.9 -33.01 64.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.49 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 16.4 m-30 -110.15 -51.74 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 51.47 46.3 26.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 77.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.4 m -139.98 130.99 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -100.0 133.41 44.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.268 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.0 m -140.03 157.07 70.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -23.11 14.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 p -157.34 -171.46 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.59 -3.28 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.45 -40.26 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.58 -29.65 69.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -73.22 -19.36 61.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.365 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -77.27 -25.99 52.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -77.02 -14.91 59.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -71.04 -12.27 61.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -68.68 -18.28 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.4 -13.07 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.37 -26.65 55.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.57 -24.74 53.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.99 168.25 4.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.66 21.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.86 -30.0 36.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m 53.14 40.09 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 23' ' ' GLU . 6.9 p 46.09 -143.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' N ' ' OG ' ' A' ' 22' ' ' SER . 48.3 mm-40 -89.94 45.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 75.54 -66.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -90.01 79.58 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' HB ' ' A' ' 30' ' ' THR . 30.4 p -64.42 -42.36 96.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.65 -33.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.5 m -89.99 -44.25 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.435 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -90.01 46.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 26' ' ' CYS . 15.0 t -140.01 12.2 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.353 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.42 -22.36 10.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.0 m -90.07 -177.71 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.5 pt -133.4 174.8 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -100.01 140.41 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.23 165.59 33.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.544 1.813 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.12 -112.37 0.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.06 5.72 46.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.6 m -100.0 72.81 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.5 m -73.83 152.2 88.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.28 4.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.59 50.75 4.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.04 -54.69 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -125.12 -51.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 54.42 84.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.9 m120 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 2' ' ' THR . 10.2 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.432 ' N ' ' OG1' ' A' ' 1' ' ' THR . 48.1 m -126.13 121.09 31.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.445 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.0 m -100.0 150.06 22.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.336 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.97 140.07 23.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 108.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.13 11.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 p -141.07 137.77 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.6 tt -71.25 -19.75 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.67 -36.83 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.18 -32.47 50.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -59.75 -26.68 65.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -55.22 -30.14 59.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -80.12 -38.14 32.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.65 -21.65 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -61.45 -28.38 69.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.2 t -66.17 -38.36 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.09 -36.63 55.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.2 tpt85 -61.5 -39.73 92.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.65 166.16 38.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 71.84 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.92 -53.77 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m 58.47 74.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -72.18 -78.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -90.05 -7.52 53.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 74.37 -66.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mp -90.01 77.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.7 m -89.96 21.94 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.01 -79.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 p -66.38 -20.04 65.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -72.64 -29.92 63.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 111.049 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -100.02 -26.73 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.86 -31.51 2.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.7 m -55.97 162.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.84 151.46 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 mt -99.99 136.99 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.5 pt -127.29 152.43 76.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.63 -148.34 14.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -121.17 17.87 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.2 m -99.97 99.45 10.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 76.1 m -72.41 151.09 91.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 67.74 5.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.1 -139.16 14.47 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -76.82 -72.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 38.23 46.29 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.97 78.2 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.5 m -140.0 112.13 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.4 m -99.99 124.84 45.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.0 161.81 53.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.331 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.14 7.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -151.05 166.87 29.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -27.08 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.81 -28.67 45.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.38 -20.41 63.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -90.0 9.7 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -67.93 -24.58 65.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -77.39 -19.36 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -79.87 -4.64 53.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -70.77 -14.33 62.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.99 -14.73 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.04 -44.57 9.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -65.99 -20.86 66.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.245 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -89.94 163.05 33.69 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 67.33 5.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.67 -62.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m 54.53 54.32 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -74.44 -51.68 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -84.21 -29.82 26.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 74.41 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 mp -89.98 60.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.1 m -63.52 -35.62 81.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.28 -37.96 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.3 m -89.98 -35.7 15.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -89.98 32.16 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -140.0 17.13 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.89 -39.05 3.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -64.87 -179.14 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.11 176.35 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.7 mt -100.0 115.86 42.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 pt -99.94 156.58 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.04 93.54 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 44.42 48.53 8.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.7 m -133.61 88.32 2.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.384 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 m -70.08 154.83 94.31 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.62 20.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.13 -16.97 53.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -58.26 -44.06 88.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -106.95 -37.41 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 51.17 61.66 3.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.02 156.24 46.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.73 148.38 52.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 160.81 59.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.17 8.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -122.26 147.64 45.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.8 pt -71.61 -24.0 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.81 -38.36 82.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.6 77.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -72.42 -34.61 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 p -70.43 -33.78 71.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -76.2 -30.46 58.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.89 -19.9 66.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.75 -26.08 65.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.32 -32.04 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.6 m -77.93 -33.03 51.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.309 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -69.24 -36.52 77.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.69 162.56 73.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.56 -69.94 0.97 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -102.35 -85.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.804 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 76.33 -56.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -40.02 -62.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.16 138.31 57.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.7 mt -89.99 119.52 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.3 m -90.0 1.22 56.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.08 12.65 17.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.4 p -90.09 -125.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -89.96 40.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 m -109.13 28.62 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.437 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 -55.34 4.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.9 m -70.13 156.52 39.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.6 pt -133.34 -172.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.1 mt -100.01 131.91 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 pt -124.13 152.83 67.79 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.6 38.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.59 72.75 1.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -157.11 -94.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.377 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -140.07 155.63 46.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.9 m -66.65 154.88 90.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.272 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.31 11.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.28 -0.8 89.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.8 -51.09 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -120.04 59.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.06 71.32 9.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' A' ' 2' ' ' THR . 8.8 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.495 ' N ' ' OG1' ' A' ' 1' ' ' THR . 61.0 m -136.72 123.44 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.3 m -100.09 146.1 27.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.09 140.05 36.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.74 15.68 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 p -147.63 157.79 43.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.954 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.0 tt -75.8 -25.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.29 -41.12 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.01 -26.46 65.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -74.45 -29.21 61.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 t -71.21 -15.37 62.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -89.93 -2.78 58.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.86 -3.12 46.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -63.45 -22.08 66.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.23 -26.82 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 -21.68 42.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -87.36 -32.04 19.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.77 172.63 2.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 66.65 5.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.29 32.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.158 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' SER . 6.7 t -159.94 34.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 23' ' ' GLU . 24.7 p 38.36 -131.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.504 ' N ' ' OG ' ' A' ' 22' ' ' SER . 4.2 mp0 -90.05 54.53 2.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.37 -69.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.4 mm -90.03 100.48 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' THR . 19.9 p -74.31 -13.39 60.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.55 88.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -80.05 -23.98 41.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -86.42 -19.94 28.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' CYS . 11.8 t -104.93 -22.54 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.66 -39.13 2.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.1 m -55.6 161.03 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.4 pt -119.68 145.98 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.3 mt -100.03 129.5 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.62 158.59 72.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -80.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.94 -140.24 10.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.27 66.2 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.5 m -103.5 -4.05 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.7 m -61.91 153.9 70.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 108.337 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.62 12.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.45 -29.68 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -62.44 -25.7 68.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -72.21 -18.18 61.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 75.59 -65.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.401 ' N ' HH22 ' A' ' 17' ' ' ARG . 56.1 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.7 m -99.98 142.04 31.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.7 m -113.26 149.06 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 108.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.01 163.85 41.58 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.21 17.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 m -142.05 143.87 33.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 pt -60.89 -28.73 43.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.08 -50.61 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.27 70.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -70.19 -40.23 74.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 p -72.08 -25.49 61.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -73.11 -17.27 61.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -89.98 -0.71 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -64.32 -29.86 70.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 m -72.62 -20.6 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.79 -37.3 24.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 108.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.401 HH22 ' N ' ' A' ' 1' ' ' THR . 25.9 mmt180 -72.98 -45.85 55.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mp -77.2 160.0 76.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.49 12.61 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.542 1.811 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.11 -41.68 38.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' SER . 80.3 m -135.08 -76.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.406 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' THR . 4.0 t 35.77 60.37 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -86.28 -48.13 8.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.32 -162.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.2 mt -67.7 104.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.0 m -89.96 -1.27 57.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.282 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.22 -26.38 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.8 m -88.21 -15.92 34.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -90.01 -33.2 16.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 t -100.05 -31.5 11.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.15 34.78 5.26 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -89.93 172.67 8.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.2 pt -123.91 151.81 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.6 mt -99.92 147.85 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 pt -100.01 146.03 31.22 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 57.73 4.63 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.56 46.73 12.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -156.93 -93.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -140.02 158.19 44.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.13 145.33 81.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.257 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -174.16 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.9 51.59 4.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.0 -60.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -120.78 -49.82 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 50.42 54.41 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.7 m -139.98 142.92 36.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 m -115.96 144.39 44.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 108.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.97 160.9 49.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.84 9.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -145.1 163.49 34.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -29.82 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.54 -37.64 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -29.49 69.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -65.39 -27.51 68.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 t -75.78 -32.49 59.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.949 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -76.23 -14.09 60.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -89.14 4.56 48.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -74.24 -20.31 60.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.6 m -62.37 -30.76 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 m -76.0 -37.26 58.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -31.87 69.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -75.81 148.57 82.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 84.76 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.09 -66.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 m 64.7 136.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -63.96 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -90.0 -75.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.21 -70.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.3 mt -90.0 62.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -28.9 68.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.69 -33.54 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.0 m -89.97 -37.48 14.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -90.04 32.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.3 t -140.01 18.07 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.369 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.8 -41.19 2.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.99 162.01 3.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.8 pt -139.38 -179.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -99.98 126.82 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.4 pt -100.04 138.7 20.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 69.34 5.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 68.57 91.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . 34.66 60.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -140.01 65.01 1.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.0 m -71.76 142.31 85.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 171.96 17.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.31 -21.4 70.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.51 -43.13 81.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -89.9 -48.88 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 75.89 -63.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.4 m -140.01 141.03 36.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.19 113.81 27.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.352 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.6 m -126.29 151.21 71.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.76 10.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 7' ' ' ILE . 24.9 m -100.02 -43.16 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.443 ' CB ' ' O ' ' A' ' 6' ' ' SER . 1.0 OUTLIER 83.49 -14.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.1 t -86.22 -22.86 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.11 -15.22 63.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -55.07 -32.45 61.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.6 p -58.43 -34.91 71.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -81.59 -35.51 30.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -69.45 -23.72 63.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.44 -24.86 68.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.0 t -66.65 -32.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.5 m -78.12 -36.95 47.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 108.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -66.42 -37.66 85.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.81 161.23 69.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.75 12.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.55 -59.48 3.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 22' ' ' SER . 80.6 p -131.41 -77.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.421 ' N ' ' OG1' ' A' ' 21' ' ' THR . 4.9 p 59.89 23.3 12.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -90.01 -55.79 3.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.77 167.65 13.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.1 mt -88.11 123.19 40.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.1 m -86.68 -29.29 22.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.153 . . . . 0.0 108.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.12 -28.12 24.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.34 -45.71 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -65.08 -25.75 67.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.6 p -100.04 -22.66 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.55 13.72 82.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 m -89.99 -174.74 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.2 163.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.2 mt -99.98 135.56 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -126.17 162.14 47.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -53.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.69 129.07 1.04 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 48.95 37.94 11.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.9 m -140.02 75.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -92.83 119.67 67.68 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.54 8.46 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.75 55.52 4.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.07 -56.22 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -138.83 -51.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 75.42 -64.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.9 m120 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 m -140.03 141.31 36.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.07 112.34 15.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 108.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.8 m -100.05 152.32 37.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.241 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.54 1.811 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 p -99.97 160.02 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 pt -87.54 -7.81 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.74 -40.22 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.93 -27.66 69.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -62.96 -29.96 71.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 t -67.85 -40.91 83.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.049 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -67.97 -32.11 72.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -90.0 40.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -90.05 -43.48 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.3 t -71.12 -27.89 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.97 7.98 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.345 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -90.0 -55.51 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -55.78 160.94 3.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' N ' HD22 ' A' ' 18' ' ' LEU . 18.2 Cg_endo -75.01 83.78 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.79 -51.57 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m 61.19 99.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 t -53.92 -63.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -90.03 -89.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.94 -94.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.9 mm -90.07 85.99 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.6 m -85.76 -13.53 47.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 108.346 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 -44.75 63.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.333 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 p -71.84 -37.04 70.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.05 -23.48 67.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.0 p -99.98 6.2 45.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.73 20.02 65.78 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 62.0 m -90.04 171.54 9.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 pt -99.96 162.74 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.2 mt -99.98 140.4 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 2.2 pp -138.89 141.87 31.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.0 -168.3 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.527 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -38.36 96.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.527 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . 30.66 71.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.7 m -139.92 79.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.2 m -102.57 153.39 38.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.318 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.31 12.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.41 -16.37 29.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.33 -27.37 52.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -114.39 12.8 17.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.27 72.99 9.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.6 m -108.21 136.2 48.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.07 140.48 48.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 108.312 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 87.4 m -122.16 152.48 60.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -59.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -99.97 161.07 13.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.99 -29.35 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.38 -43.48 97.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.62 79.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -68.77 -43.35 75.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.2 t -59.35 -34.01 71.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -76.68 -42.66 40.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -62.93 -30.41 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -58.79 -32.98 69.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.9 t -70.03 -27.92 34.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.0 t -77.38 -21.72 52.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 108.32 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -89.55 -31.54 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.99 164.08 59.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.21 13.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.38 -39.88 93.41 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -134.64 -78.09 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 110.38 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 t 41.35 66.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -88.25 -56.01 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.7 -157.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.8 mt -78.9 94.06 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.97 -7.21 54.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.16 -41.48 17.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 m -89.96 -28.26 19.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.96 25.79 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 t -139.95 17.13 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.59 -41.24 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.6 m -60.4 178.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 pt -133.94 174.55 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.98 122.1 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 pt -139.25 151.99 68.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.38 145.47 26.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 54.13 35.35 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.354 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.8 m -139.99 67.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.03 131.03 22.2 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.96 41.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.432 1.754 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.55 -18.52 75.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 44' ' ' TYR . 52.1 p-10 -55.9 -33.01 64.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.49 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 16.4 m-30 -110.15 -51.74 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 51.47 46.3 26.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 77.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.4 m -139.98 130.99 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -100.0 133.41 44.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.268 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.0 m -140.03 157.07 70.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -23.11 14.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 p -157.34 -171.46 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.59 -3.28 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.45 -40.26 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.58 -29.65 69.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -73.22 -19.36 61.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.365 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -77.27 -25.99 52.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -77.02 -14.91 59.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -71.04 -12.27 61.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -68.68 -18.28 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.4 -13.07 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.37 -26.65 55.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.57 -24.74 53.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.99 168.25 4.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.66 21.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.86 -30.0 36.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m 53.14 40.09 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 23' ' ' GLU . 6.9 p 46.09 -143.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' N ' ' OG ' ' A' ' 22' ' ' SER . 48.3 mm-40 -89.94 45.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 75.54 -66.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -90.01 79.58 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' HB ' ' A' ' 30' ' ' THR . 30.4 p -64.42 -42.36 96.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.65 -33.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.5 m -89.99 -44.25 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.435 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -90.01 46.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 26' ' ' CYS . 15.0 t -140.01 12.2 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.353 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.42 -22.36 10.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.0 m -90.07 -177.71 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.5 pt -133.4 174.8 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -100.01 140.41 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.23 165.59 33.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.544 1.813 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.12 -112.37 0.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.06 5.72 46.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.6 m -100.0 72.81 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.5 m -73.83 152.2 88.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.28 4.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.59 50.75 4.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.04 -54.69 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -125.12 -51.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 54.42 84.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.9 m120 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 2' ' ' THR . 10.2 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.432 ' N ' ' OG1' ' A' ' 1' ' ' THR . 48.1 m -126.13 121.09 31.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.445 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.0 m -100.0 150.06 22.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.336 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.97 140.07 23.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 108.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.13 11.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 p -141.07 137.77 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.6 tt -71.25 -19.75 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.67 -36.83 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.18 -32.47 50.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -59.75 -26.68 65.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -55.22 -30.14 59.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -80.12 -38.14 32.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.65 -21.65 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -61.45 -28.38 69.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.2 t -66.17 -38.36 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.09 -36.63 55.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.2 tpt85 -61.5 -39.73 92.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.65 166.16 38.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 71.84 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.92 -53.77 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m 58.47 74.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -72.18 -78.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -90.05 -7.52 53.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 74.37 -66.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mp -90.01 77.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.7 m -89.96 21.94 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.01 -79.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 p -66.38 -20.04 65.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -72.64 -29.92 63.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 111.049 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -100.02 -26.73 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.86 -31.51 2.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.7 m -55.97 162.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.84 151.46 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 mt -99.99 136.99 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.5 pt -127.29 152.43 76.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.63 -148.34 14.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -121.17 17.87 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.2 m -99.97 99.45 10.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 76.1 m -72.41 151.09 91.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 67.74 5.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.1 -139.16 14.47 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -76.82 -72.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 38.23 46.29 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.97 78.2 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.5 m -140.0 112.13 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.4 m -99.99 124.84 45.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.0 161.81 53.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.331 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.14 7.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -151.05 166.87 29.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -27.08 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.81 -28.67 45.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.38 -20.41 63.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -90.0 9.7 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -67.93 -24.58 65.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -77.39 -19.36 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -79.87 -4.64 53.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -70.77 -14.33 62.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.99 -14.73 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.04 -44.57 9.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -65.99 -20.86 66.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.245 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -89.94 163.05 33.69 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 67.33 5.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.67 -62.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m 54.53 54.32 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -74.44 -51.68 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 18.6 mm-40 -84.21 -29.82 26.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 74.41 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 mp -89.98 60.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.1 m -63.52 -35.62 81.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.28 -37.96 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.3 m -89.98 -35.7 15.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -89.98 32.16 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -140.0 17.13 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.89 -39.05 3.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -64.87 -179.14 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.11 176.35 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.7 mt -100.0 115.86 42.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 pt -99.94 156.58 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.04 93.54 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 44.42 48.53 8.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.7 m -133.61 88.32 2.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.384 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 m -70.08 154.83 94.31 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.62 20.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.13 -16.97 53.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -58.26 -44.06 88.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -106.95 -37.41 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 51.17 61.66 3.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.02 156.24 46.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.73 148.38 52.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 160.81 59.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.17 8.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -122.26 147.64 45.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.8 pt -71.61 -24.0 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.81 -38.36 82.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.6 77.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -72.42 -34.61 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 p -70.43 -33.78 71.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -76.2 -30.46 58.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.89 -19.9 66.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.75 -26.08 65.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.32 -32.04 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.6 m -77.93 -33.03 51.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.309 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -69.24 -36.52 77.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.69 162.56 73.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.56 -69.94 0.97 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -102.35 -85.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.804 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 76.33 -56.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -40.02 -62.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.16 138.31 57.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.52 HG22 ' H ' ' A' ' 27' ' ' ALA . 32.7 mt -89.99 119.52 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.3 m -90.0 1.22 56.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.52 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -90.08 12.65 17.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.4 p -90.09 -125.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -89.96 40.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 m -109.13 28.62 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.437 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 -55.34 4.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.9 m -70.13 156.52 39.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.6 pt -133.34 -172.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.1 mt -100.01 131.91 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 pt -124.13 152.83 67.79 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.6 38.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.59 72.75 1.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -157.11 -94.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.377 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -140.07 155.63 46.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.9 m -66.65 154.88 90.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.272 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.31 11.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.28 -0.8 89.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.8 -51.09 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -120.04 59.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.06 71.32 9.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' A' ' 2' ' ' THR . 8.8 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.495 ' N ' ' OG1' ' A' ' 1' ' ' THR . 61.0 m -136.72 123.44 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.3 m -100.09 146.1 27.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 0.5 OUTLIER -133.09 140.05 36.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.74 15.68 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 p -147.63 157.79 43.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.954 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.0 tt -75.8 -25.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.29 -41.12 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . . . -68.01 -26.46 65.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -74.45 -29.21 61.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 t -71.21 -15.37 62.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -89.93 -2.78 58.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.86 -3.12 46.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -63.45 -22.08 66.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.23 -26.82 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 -21.68 42.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -87.36 -32.04 19.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.77 172.63 2.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 66.65 5.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.29 32.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.158 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' SER . 6.7 t -159.94 34.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 23' ' ' GLU . 24.7 p 38.36 -131.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 4.2 mp0 -90.05 54.53 2.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 73.37 -69.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.439 HG22 ' HB3' ' A' ' 27' ' ' ALA . 16.4 mm -90.03 100.48 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' THR . 19.9 p -74.31 -13.39 60.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.439 ' HB3' HG22 ' A' ' 25' ' ' ILE . . . -60.6 -39.55 88.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -80.05 -23.98 41.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -86.42 -19.94 28.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.586 HG23 ' H ' ' A' ' 32' ' ' CYS . 11.8 t -104.93 -22.54 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.66 -39.13 2.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.586 ' H ' HG23 ' A' ' 30' ' ' THR . 28.1 m -55.6 161.03 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.4 pt -119.68 145.98 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.3 mt -100.03 129.5 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.62 158.59 72.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -80.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.94 -140.24 10.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.27 66.2 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.5 m -103.5 -4.05 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.7 m -61.91 153.9 70.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 108.337 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.62 12.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.45 -29.68 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -62.44 -25.7 68.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.559 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 3.3 m-85 -72.21 -18.18 61.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 44' ' ' TYR . . . 75.59 -65.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.7 m -99.98 142.04 31.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.7 m -113.26 149.06 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 108.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.01 163.85 41.58 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.21 17.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 m -142.05 143.87 33.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 pt -60.89 -28.73 43.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.08 -50.61 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.27 70.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -70.19 -40.23 74.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 p -72.08 -25.49 61.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -73.11 -17.27 61.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -89.98 -0.71 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -64.32 -29.86 70.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 m -72.62 -20.6 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.79 -37.3 24.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 108.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -72.98 -45.85 55.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mp -77.2 160.0 76.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.49 12.61 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.542 1.811 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.11 -41.68 38.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' SER . 80.3 m -135.08 -76.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.406 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' THR . 4.0 t 35.77 60.37 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -86.28 -48.13 8.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.32 -162.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.2 mt -67.7 104.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.0 m -89.96 -1.27 57.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.282 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.22 -26.38 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.8 m -88.21 -15.92 34.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -90.01 -33.2 16.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 t -100.05 -31.5 11.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.15 34.78 5.26 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -89.93 172.67 8.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.2 pt -123.91 151.81 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.6 mt -99.92 147.85 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 7.6 pt -100.01 146.03 31.22 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.95 57.73 4.63 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.56 46.73 12.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -156.93 -93.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -140.02 158.19 44.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.13 145.33 81.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.257 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -174.16 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.9 51.59 4.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.0 -60.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -120.78 -49.82 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 50.42 54.41 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.7 m -139.98 142.92 36.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 m -115.96 144.39 44.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 108.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.97 160.9 49.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.84 9.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -145.1 163.49 34.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -29.82 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.54 -37.64 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -29.49 69.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -65.39 -27.51 68.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 t -75.78 -32.49 59.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.949 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -76.23 -14.09 60.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -89.14 4.56 48.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -74.24 -20.31 60.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.6 m -62.37 -30.76 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 m -76.0 -37.26 58.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -31.87 69.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 5.5 mp -75.81 148.57 82.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 18' ' ' LEU . 18.3 Cg_endo -74.98 84.76 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.09 -66.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 m 64.7 136.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -63.96 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -90.0 -75.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.21 -70.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.3 mt -90.0 62.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' HB ' ' A' ' 30' ' ' THR . 1.0 OUTLIER -60.66 -28.9 68.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.69 -33.54 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.0 m -89.97 -37.48 14.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -90.04 32.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 26' ' ' CYS . 6.3 t -140.01 18.07 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.369 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.8 -41.19 2.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.99 162.01 3.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.8 pt -139.38 -179.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -99.98 126.82 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 6.4 pt -100.04 138.7 20.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.96 69.34 5.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 68.57 91.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . 34.66 60.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -140.01 65.01 1.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.0 m -71.76 142.31 85.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 171.96 17.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.31 -21.4 70.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.51 -43.13 81.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.584 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 3.1 m-85 -89.9 -48.88 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 44' ' ' TYR . . . 75.89 -63.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.4 m -140.01 141.03 36.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.442 ' SG ' HG21 ' A' ' 35' ' ' ILE . 1.7 m -102.19 113.81 27.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.352 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.6 m -126.29 151.21 71.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.76 10.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 7' ' ' ILE . 24.9 m -100.02 -43.16 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 6' ' ' SER . 1.0 OUTLIER 83.49 -14.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.1 t -86.22 -22.86 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.11 -15.22 63.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -55.07 -32.45 61.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.6 p -58.43 -34.91 71.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -81.59 -35.51 30.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -69.45 -23.72 63.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.44 -24.86 68.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.0 t -66.65 -32.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.5 m -78.12 -36.95 47.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 108.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -66.42 -37.66 85.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.81 161.23 69.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.75 12.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.55 -59.48 3.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 22' ' ' SER . 80.6 p -131.41 -77.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.421 ' N ' ' OG1' ' A' ' 21' ' ' THR . 4.9 p 59.89 23.3 12.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -90.01 -55.79 3.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.77 167.65 13.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.1 mt -88.11 123.19 40.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.1 m -86.68 -29.29 22.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.153 . . . . 0.0 108.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.12 -28.12 24.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.34 -45.71 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -65.08 -25.75 67.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.6 p -100.04 -22.66 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.55 13.72 82.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 m -89.99 -174.74 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.2 163.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.2 mt -99.98 135.56 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.442 HG21 ' SG ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -126.17 162.14 47.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -53.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.69 129.07 1.04 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 48.95 37.94 11.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.9 m -140.02 75.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -92.83 119.67 67.68 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.54 8.46 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.75 55.52 4.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.07 -56.22 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 31.7 m-85 -138.83 -51.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 44' ' ' TYR . . . 75.42 -64.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.9 m120 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 m -140.03 141.31 36.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.07 112.34 15.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 108.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.8 m -100.05 152.32 37.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.241 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.54 1.811 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 p -99.97 160.02 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 pt -87.54 -7.81 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.74 -40.22 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.93 -27.66 69.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -62.96 -29.96 71.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 t -67.85 -40.91 83.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.049 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -67.97 -32.11 72.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -90.0 40.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -90.05 -43.48 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.612 ' O ' HD12 ' A' ' 18' ' ' LEU . 94.3 t -71.12 -27.89 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.97 7.98 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.345 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -90.0 -55.51 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.942 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -55.78 160.94 3.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.487 ' N ' HD22 ' A' ' 18' ' ' LEU . 18.2 Cg_endo -75.01 83.78 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.79 -51.57 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m 61.19 99.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 t -53.92 -63.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -90.03 -89.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.94 -94.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.9 mm -90.07 85.99 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.6 m -85.76 -13.53 47.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 108.346 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 -44.75 63.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.333 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 p -71.84 -37.04 70.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.05 -23.48 67.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.0 p -99.98 6.2 45.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.73 20.02 65.78 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 62.0 m -90.04 171.54 9.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 pt -99.96 162.74 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.2 mt -99.98 140.4 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 2.2 pp -138.89 141.87 31.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.0 -168.3 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.527 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -38.36 96.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.527 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . 30.66 71.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.7 m -139.92 79.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.2 m -102.57 153.39 38.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.318 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.31 12.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.41 -16.37 29.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.33 -27.37 52.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -114.39 12.8 17.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.27 72.99 9.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.6 m -108.21 136.2 48.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.07 140.48 48.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 108.312 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 87.4 m -122.16 152.48 60.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -59.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -99.97 161.07 13.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.99 -29.35 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.38 -43.48 97.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.62 79.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -68.77 -43.35 75.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.2 t -59.35 -34.01 71.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -76.68 -42.66 40.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -62.93 -30.41 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -58.79 -32.98 69.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.9 t -70.03 -27.92 34.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.0 t -77.38 -21.72 52.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 108.32 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -89.55 -31.54 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.99 164.08 59.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.21 13.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.38 -39.88 93.41 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -134.64 -78.09 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 110.38 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 t 41.35 66.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -88.25 -56.01 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.7 -157.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.8 mt -78.9 94.06 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.97 -7.21 54.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.16 -41.48 17.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 m -89.96 -28.26 19.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.96 25.79 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 t -139.95 17.13 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.59 -41.24 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.6 m -60.4 178.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 pt -133.94 174.55 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.98 122.1 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 pt -139.25 151.99 68.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.38 145.47 26.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 54.13 35.35 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.354 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.8 m -139.99 67.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.03 131.03 22.2 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.96 41.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.432 1.754 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.55 -18.52 75.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 44' ' ' TYR . 52.1 p-10 -55.9 -33.01 64.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.49 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 16.4 m-30 -110.15 -51.74 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 51.47 46.3 26.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 77.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.4 m -139.98 130.99 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -100.0 133.41 44.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.268 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.0 m -140.03 157.07 70.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -23.11 14.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 p -157.34 -171.46 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.59 -3.28 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.45 -40.26 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.58 -29.65 69.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -73.22 -19.36 61.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.365 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -77.27 -25.99 52.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -77.02 -14.91 59.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -71.04 -12.27 61.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -68.68 -18.28 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.4 -13.07 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.37 -26.65 55.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.57 -24.74 53.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.99 168.25 4.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.66 21.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.86 -30.0 36.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m 53.14 40.09 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 23' ' ' GLU . 6.9 p 46.09 -143.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 48.3 mm-40 -89.94 45.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 75.54 -66.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -90.01 79.58 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.464 ' O ' ' HB ' ' A' ' 30' ' ' THR . 30.4 p -64.42 -42.36 96.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.65 -33.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.5 m -89.99 -44.25 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.435 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -90.01 46.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 26' ' ' CYS . 15.0 t -140.01 12.2 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.353 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.42 -22.36 10.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.0 m -90.07 -177.71 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.5 pt -133.4 174.8 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -100.01 140.41 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.23 165.59 33.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.544 1.813 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.12 -112.37 0.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.06 5.72 46.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.6 m -100.0 72.81 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.5 m -73.83 152.2 88.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.28 4.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.59 50.75 4.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.04 -54.69 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -125.12 -51.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 54.42 84.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.9 m120 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 2' ' ' THR . 10.2 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.432 ' N ' ' OG1' ' A' ' 1' ' ' THR . 48.1 m -126.13 121.09 31.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.445 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.0 m -100.0 150.06 22.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.336 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.97 140.07 23.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 108.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.13 11.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 p -141.07 137.77 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.6 tt -71.25 -19.75 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.67 -36.83 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.18 -32.47 50.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -59.75 -26.68 65.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -55.22 -30.14 59.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -80.12 -38.14 32.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.65 -21.65 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -61.45 -28.38 69.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.2 t -66.17 -38.36 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.09 -36.63 55.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.2 tpt85 -61.5 -39.73 92.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.65 166.16 38.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 71.84 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.92 -53.77 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m 58.47 74.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -72.18 -78.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.545 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 39.1 mm-40 -90.05 -7.52 53.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 74.37 -66.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mp -90.01 77.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.7 m -89.96 21.94 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.01 -79.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 p -66.38 -20.04 65.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -72.64 -29.92 63.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 111.049 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -100.02 -26.73 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.86 -31.51 2.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.7 m -55.97 162.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.84 151.46 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 mt -99.99 136.99 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.5 pt -127.29 152.43 76.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.63 -148.34 14.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -121.17 17.87 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.2 m -99.97 99.45 10.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 76.1 m -72.41 151.09 91.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 67.74 5.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.1 -139.16 14.47 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -76.82 -72.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 38.23 46.29 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.97 78.2 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.5 m -140.0 112.13 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.4 m -99.99 124.84 45.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.0 161.81 53.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.331 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.14 7.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -151.05 166.87 29.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -27.08 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.81 -28.67 45.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.38 -20.41 63.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -90.0 9.7 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -67.93 -24.58 65.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -77.39 -19.36 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -79.87 -4.64 53.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -70.77 -14.33 62.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.99 -14.73 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.04 -44.57 9.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -65.99 -20.86 66.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.245 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -89.94 163.05 33.69 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 67.33 5.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.67 -62.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m 54.53 54.32 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -74.44 -51.68 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 18.6 mm-40 -84.21 -29.82 26.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 74.41 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 mp -89.98 60.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.1 m -63.52 -35.62 81.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.28 -37.96 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.3 m -89.98 -35.7 15.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -89.98 32.16 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -140.0 17.13 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.89 -39.05 3.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -64.87 -179.14 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.11 176.35 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.7 mt -100.0 115.86 42.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 pt -99.94 156.58 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.04 93.54 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 44.42 48.53 8.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.7 m -133.61 88.32 2.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.384 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 m -70.08 154.83 94.31 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.62 20.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.13 -16.97 53.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -58.26 -44.06 88.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -106.95 -37.41 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 51.17 61.66 3.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.02 156.24 46.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.73 148.38 52.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 160.81 59.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.17 8.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -122.26 147.64 45.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.8 pt -71.61 -24.0 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.81 -38.36 82.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.6 77.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -72.42 -34.61 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 p -70.43 -33.78 71.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -76.2 -30.46 58.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.89 -19.9 66.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.75 -26.08 65.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.32 -32.04 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.6 m -77.93 -33.03 51.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.309 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -69.24 -36.52 77.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.69 162.56 73.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.56 -69.94 0.97 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -102.35 -85.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.804 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 76.33 -56.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -40.02 -62.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.16 138.31 57.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.52 HG22 ' H ' ' A' ' 27' ' ' ALA . 32.7 mt -89.99 119.52 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.3 m -90.0 1.22 56.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -90.08 12.65 17.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.4 p -90.09 -125.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -89.96 40.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 m -109.13 28.62 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.437 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 -55.34 4.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.9 m -70.13 156.52 39.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.6 pt -133.34 -172.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.1 mt -100.01 131.91 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 pt -124.13 152.83 67.79 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.6 38.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.59 72.75 1.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -157.11 -94.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.377 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -140.07 155.63 46.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.9 m -66.65 154.88 90.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.272 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.31 11.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.28 -0.8 89.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.8 -51.09 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -120.04 59.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.06 71.32 9.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' A' ' 2' ' ' THR . 8.8 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.495 ' N ' ' OG1' ' A' ' 1' ' ' THR . 61.0 m -136.72 123.44 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.3 m -100.09 146.1 27.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 0.5 OUTLIER -133.09 140.05 36.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.74 15.68 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 p -147.63 157.79 43.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.954 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.0 tt -75.8 -25.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.29 -41.12 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . . . -68.01 -26.46 65.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -74.45 -29.21 61.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 t -71.21 -15.37 62.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -89.93 -2.78 58.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.86 -3.12 46.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -63.45 -22.08 66.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.23 -26.82 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 -21.68 42.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -87.36 -32.04 19.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.77 172.63 2.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 66.65 5.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.29 32.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.158 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' SER . 6.7 t -159.94 34.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 23' ' ' GLU . 24.7 p 38.36 -131.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 4.2 mp0 -90.05 54.53 2.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 73.37 -69.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.439 HG22 ' HB3' ' A' ' 27' ' ' ALA . 16.4 mm -90.03 100.48 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' THR . 19.9 p -74.31 -13.39 60.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.439 ' HB3' HG22 ' A' ' 25' ' ' ILE . . . -60.6 -39.55 88.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -80.05 -23.98 41.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -86.42 -19.94 28.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.586 HG23 ' H ' ' A' ' 32' ' ' CYS . 11.8 t -104.93 -22.54 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.66 -39.13 2.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.586 ' H ' HG23 ' A' ' 30' ' ' THR . 28.1 m -55.6 161.03 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.4 pt -119.68 145.98 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.3 mt -100.03 129.5 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.62 158.59 72.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -80.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.94 -140.24 10.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.27 66.2 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.5 m -103.5 -4.05 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.7 m -61.91 153.9 70.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 108.337 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.62 12.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.45 -29.68 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -62.44 -25.7 68.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.559 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 3.3 m-85 -72.21 -18.18 61.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 44' ' ' TYR . . . 75.59 -65.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.7 m -99.98 142.04 31.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.7 m -113.26 149.06 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 108.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.01 163.85 41.58 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.21 17.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 m -142.05 143.87 33.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 pt -60.89 -28.73 43.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.08 -50.61 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.27 70.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -70.19 -40.23 74.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 p -72.08 -25.49 61.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -73.11 -17.27 61.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -89.98 -0.71 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -64.32 -29.86 70.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 m -72.62 -20.6 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.79 -37.3 24.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 108.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -72.98 -45.85 55.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mp -77.2 160.0 76.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.49 12.61 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.542 1.811 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.11 -41.68 38.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' SER . 80.3 m -135.08 -76.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.406 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' THR . 4.0 t 35.77 60.37 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -86.28 -48.13 8.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.32 -162.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.2 mt -67.7 104.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.0 m -89.96 -1.27 57.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.282 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.22 -26.38 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.8 m -88.21 -15.92 34.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -90.01 -33.2 16.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 t -100.05 -31.5 11.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.15 34.78 5.26 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -89.93 172.67 8.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.2 pt -123.91 151.81 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.6 mt -99.92 147.85 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 7.6 pt -100.01 146.03 31.22 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.95 57.73 4.63 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.56 46.73 12.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -156.93 -93.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -140.02 158.19 44.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.13 145.33 81.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.257 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -174.16 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.9 51.59 4.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.0 -60.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -120.78 -49.82 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 50.42 54.41 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.7 m -139.98 142.92 36.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 m -115.96 144.39 44.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 108.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.97 160.9 49.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.84 9.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -145.1 163.49 34.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -29.82 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.54 -37.64 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -29.49 69.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -65.39 -27.51 68.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 t -75.78 -32.49 59.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.949 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -76.23 -14.09 60.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -89.14 4.56 48.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -74.24 -20.31 60.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.6 m -62.37 -30.76 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 m -76.0 -37.26 58.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -31.87 69.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 5.5 mp -75.81 148.57 82.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 18' ' ' LEU . 18.3 Cg_endo -74.98 84.76 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.09 -66.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 m 64.7 136.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -63.96 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -90.0 -75.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.21 -70.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.3 mt -90.0 62.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' HB ' ' A' ' 30' ' ' THR . 1.0 OUTLIER -60.66 -28.9 68.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.69 -33.54 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.0 m -89.97 -37.48 14.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -90.04 32.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 26' ' ' CYS . 6.3 t -140.01 18.07 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.369 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.8 -41.19 2.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.99 162.01 3.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.8 pt -139.38 -179.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -99.98 126.82 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 6.4 pt -100.04 138.7 20.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.96 69.34 5.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 68.57 91.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . 34.66 60.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -140.01 65.01 1.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.0 m -71.76 142.31 85.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 171.96 17.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.31 -21.4 70.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.51 -43.13 81.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.584 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 3.1 m-85 -89.9 -48.88 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 44' ' ' TYR . . . 75.89 -63.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.4 m -140.01 141.03 36.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.442 ' SG ' HG21 ' A' ' 35' ' ' ILE . 1.7 m -102.19 113.81 27.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.352 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.6 m -126.29 151.21 71.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.76 10.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 7' ' ' ILE . 24.9 m -100.02 -43.16 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 6' ' ' SER . 1.0 OUTLIER 83.49 -14.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.1 t -86.22 -22.86 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.11 -15.22 63.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -55.07 -32.45 61.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.6 p -58.43 -34.91 71.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -81.59 -35.51 30.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -69.45 -23.72 63.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.44 -24.86 68.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.0 t -66.65 -32.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.5 m -78.12 -36.95 47.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 108.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -66.42 -37.66 85.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.81 161.23 69.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.75 12.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.55 -59.48 3.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 22' ' ' SER . 80.6 p -131.41 -77.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.421 ' N ' ' OG1' ' A' ' 21' ' ' THR . 4.9 p 59.89 23.3 12.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -90.01 -55.79 3.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.77 167.65 13.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.1 mt -88.11 123.19 40.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.1 m -86.68 -29.29 22.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.153 . . . . 0.0 108.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.12 -28.12 24.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.34 -45.71 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -65.08 -25.75 67.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.6 p -100.04 -22.66 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.55 13.72 82.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 m -89.99 -174.74 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.2 163.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.2 mt -99.98 135.56 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.442 HG21 ' SG ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -126.17 162.14 47.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -53.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.69 129.07 1.04 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 48.95 37.94 11.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.9 m -140.02 75.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -92.83 119.67 67.68 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.54 8.46 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.75 55.52 4.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.07 -56.22 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 31.7 m-85 -138.83 -51.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 44' ' ' TYR . . . 75.42 -64.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.9 m120 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 m -140.03 141.31 36.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.07 112.34 15.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 108.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.8 m -100.05 152.32 37.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.241 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.54 1.811 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 p -99.97 160.02 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 pt -87.54 -7.81 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.74 -40.22 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.93 -27.66 69.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -62.96 -29.96 71.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 t -67.85 -40.91 83.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.049 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -67.97 -32.11 72.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -90.0 40.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -90.05 -43.48 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.612 ' O ' HD12 ' A' ' 18' ' ' LEU . 94.3 t -71.12 -27.89 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.97 7.98 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.345 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -90.0 -55.51 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.942 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -55.78 160.94 3.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.487 ' N ' HD22 ' A' ' 18' ' ' LEU . 18.2 Cg_endo -75.01 83.78 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.79 -51.57 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m 61.19 99.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 t -53.92 -63.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -90.03 -89.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.94 -94.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.9 mm -90.07 85.99 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.6 m -85.76 -13.53 47.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 108.346 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 -44.75 63.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.333 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 p -71.84 -37.04 70.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.05 -23.48 67.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.0 p -99.98 6.2 45.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.73 20.02 65.78 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 62.0 m -90.04 171.54 9.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 pt -99.96 162.74 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.2 mt -99.98 140.4 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 2.2 pp -138.89 141.87 31.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.0 -168.3 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.527 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -38.36 96.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.527 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . 30.66 71.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.7 m -139.92 79.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.2 m -102.57 153.39 38.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.318 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.31 12.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.41 -16.37 29.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.33 -27.37 52.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -114.39 12.8 17.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.27 72.99 9.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.6 m -108.21 136.2 48.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.07 140.48 48.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 108.312 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 87.4 m -122.16 152.48 60.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -59.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -99.97 161.07 13.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.99 -29.35 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.38 -43.48 97.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.62 79.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -68.77 -43.35 75.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.2 t -59.35 -34.01 71.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -76.68 -42.66 40.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -62.93 -30.41 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -58.79 -32.98 69.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.9 t -70.03 -27.92 34.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.0 t -77.38 -21.72 52.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 108.32 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -89.55 -31.54 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.99 164.08 59.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.21 13.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.38 -39.88 93.41 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -134.64 -78.09 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 110.38 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 t 41.35 66.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -88.25 -56.01 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.7 -157.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.8 mt -78.9 94.06 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.97 -7.21 54.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.16 -41.48 17.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 m -89.96 -28.26 19.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.96 25.79 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 t -139.95 17.13 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.59 -41.24 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.6 m -60.4 178.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 pt -133.94 174.55 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.98 122.1 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 pt -139.25 151.99 68.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.38 145.47 26.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 54.13 35.35 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.354 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.8 m -139.99 67.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.03 131.03 22.2 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.96 41.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.432 1.754 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.55 -18.52 75.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 44' ' ' TYR . 52.1 p-10 -55.9 -33.01 64.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.49 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 16.4 m-30 -110.15 -51.74 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 51.47 46.3 26.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 77.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.4 m -139.98 130.99 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -100.0 133.41 44.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.268 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.0 m -140.03 157.07 70.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -23.11 14.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 p -157.34 -171.46 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.59 -3.28 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.45 -40.26 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.58 -29.65 69.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -73.22 -19.36 61.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.365 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -77.27 -25.99 52.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -77.02 -14.91 59.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -71.04 -12.27 61.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -68.68 -18.28 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.4 -13.07 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.37 -26.65 55.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.57 -24.74 53.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.99 168.25 4.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.66 21.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.86 -30.0 36.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m 53.14 40.09 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 23' ' ' GLU . 6.9 p 46.09 -143.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 48.3 mm-40 -89.94 45.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 75.54 -66.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -90.01 79.58 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.464 ' O ' ' HB ' ' A' ' 30' ' ' THR . 30.4 p -64.42 -42.36 96.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.65 -33.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.5 m -89.99 -44.25 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.435 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -90.01 46.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 26' ' ' CYS . 15.0 t -140.01 12.2 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.353 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.42 -22.36 10.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.0 m -90.07 -177.71 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.5 pt -133.4 174.8 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -100.01 140.41 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.23 165.59 33.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.544 1.813 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.12 -112.37 0.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.06 5.72 46.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.6 m -100.0 72.81 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.5 m -73.83 152.2 88.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.28 4.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.59 50.75 4.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.04 -54.69 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -125.12 -51.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 54.42 84.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.9 m120 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 2' ' ' THR . 10.2 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.432 ' N ' ' OG1' ' A' ' 1' ' ' THR . 48.1 m -126.13 121.09 31.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.445 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.0 m -100.0 150.06 22.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.336 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.97 140.07 23.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 108.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.13 11.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 p -141.07 137.77 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.6 tt -71.25 -19.75 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.67 -36.83 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.18 -32.47 50.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -59.75 -26.68 65.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -55.22 -30.14 59.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -80.12 -38.14 32.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.65 -21.65 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -61.45 -28.38 69.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.2 t -66.17 -38.36 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.09 -36.63 55.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.2 tpt85 -61.5 -39.73 92.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.65 166.16 38.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 71.84 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.92 -53.77 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m 58.47 74.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -72.18 -78.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.545 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 39.1 mm-40 -90.05 -7.52 53.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 74.37 -66.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mp -90.01 77.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.7 m -89.96 21.94 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.01 -79.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 p -66.38 -20.04 65.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -72.64 -29.92 63.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 111.049 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -100.02 -26.73 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.86 -31.51 2.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.7 m -55.97 162.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.84 151.46 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 mt -99.99 136.99 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.5 pt -127.29 152.43 76.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.63 -148.34 14.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -121.17 17.87 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.2 m -99.97 99.45 10.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 76.1 m -72.41 151.09 91.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 67.74 5.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.1 -139.16 14.47 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -76.82 -72.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 38.23 46.29 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.97 78.2 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.5 m -140.0 112.13 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.4 m -99.99 124.84 45.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.0 161.81 53.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.331 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.14 7.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -151.05 166.87 29.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -27.08 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.81 -28.67 45.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.38 -20.41 63.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -90.0 9.7 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -67.93 -24.58 65.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -77.39 -19.36 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -79.87 -4.64 53.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -70.77 -14.33 62.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.99 -14.73 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.04 -44.57 9.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -65.99 -20.86 66.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.245 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -89.94 163.05 33.69 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 67.33 5.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.67 -62.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m 54.53 54.32 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -74.44 -51.68 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 18.6 mm-40 -84.21 -29.82 26.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 74.41 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 mp -89.98 60.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.1 m -63.52 -35.62 81.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.28 -37.96 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.3 m -89.98 -35.7 15.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -89.98 32.16 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -140.0 17.13 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.89 -39.05 3.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -64.87 -179.14 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.11 176.35 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.7 mt -100.0 115.86 42.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 pt -99.94 156.58 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.04 93.54 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 44.42 48.53 8.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.7 m -133.61 88.32 2.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.384 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 m -70.08 154.83 94.31 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.62 20.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.13 -16.97 53.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -58.26 -44.06 88.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -106.95 -37.41 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 51.17 61.66 3.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.02 156.24 46.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.73 148.38 52.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 160.81 59.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.17 8.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -122.26 147.64 45.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.8 pt -71.61 -24.0 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.81 -38.36 82.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.6 77.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -72.42 -34.61 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 p -70.43 -33.78 71.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -76.2 -30.46 58.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.89 -19.9 66.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.75 -26.08 65.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.32 -32.04 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.6 m -77.93 -33.03 51.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.309 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -69.24 -36.52 77.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.69 162.56 73.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.56 -69.94 0.97 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -102.35 -85.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.804 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 76.33 -56.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -40.02 -62.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.16 138.31 57.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.52 HG22 ' H ' ' A' ' 27' ' ' ALA . 32.7 mt -89.99 119.52 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.3 m -90.0 1.22 56.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.52 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -90.08 12.65 17.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.4 p -90.09 -125.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -89.96 40.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 m -109.13 28.62 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.437 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 -55.34 4.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.9 m -70.13 156.52 39.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.6 pt -133.34 -172.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.1 mt -100.01 131.91 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 pt -124.13 152.83 67.79 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.6 38.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.59 72.75 1.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -157.11 -94.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.377 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -140.07 155.63 46.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.9 m -66.65 154.88 90.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.272 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.31 11.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.28 -0.8 89.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.8 -51.09 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -120.04 59.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.06 71.32 9.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' A' ' 2' ' ' THR . 8.8 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.495 ' N ' ' OG1' ' A' ' 1' ' ' THR . 61.0 m -136.72 123.44 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.3 m -100.09 146.1 27.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 0.5 OUTLIER -133.09 140.05 36.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.74 15.68 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 p -147.63 157.79 43.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.954 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.0 tt -75.8 -25.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.29 -41.12 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . . . -68.01 -26.46 65.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -74.45 -29.21 61.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 t -71.21 -15.37 62.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -89.93 -2.78 58.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.86 -3.12 46.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -63.45 -22.08 66.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.23 -26.82 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 -21.68 42.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -87.36 -32.04 19.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.77 172.63 2.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 66.65 5.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.29 32.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.158 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' SER . 6.7 t -159.94 34.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 23' ' ' GLU . 24.7 p 38.36 -131.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 4.2 mp0 -90.05 54.53 2.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 73.37 -69.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.439 HG22 ' HB3' ' A' ' 27' ' ' ALA . 16.4 mm -90.03 100.48 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' THR . 19.9 p -74.31 -13.39 60.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.439 ' HB3' HG22 ' A' ' 25' ' ' ILE . . . -60.6 -39.55 88.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -80.05 -23.98 41.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -86.42 -19.94 28.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.586 HG23 ' H ' ' A' ' 32' ' ' CYS . 11.8 t -104.93 -22.54 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.66 -39.13 2.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.586 ' H ' HG23 ' A' ' 30' ' ' THR . 28.1 m -55.6 161.03 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.4 pt -119.68 145.98 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.3 mt -100.03 129.5 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.62 158.59 72.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -80.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.94 -140.24 10.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.27 66.2 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.5 m -103.5 -4.05 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.7 m -61.91 153.9 70.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 108.337 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.62 12.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.45 -29.68 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -62.44 -25.7 68.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.559 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 3.3 m-85 -72.21 -18.18 61.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 44' ' ' TYR . . . 75.59 -65.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.7 m -99.98 142.04 31.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.7 m -113.26 149.06 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 108.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.01 163.85 41.58 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.21 17.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 m -142.05 143.87 33.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 pt -60.89 -28.73 43.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.08 -50.61 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.27 70.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -70.19 -40.23 74.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 p -72.08 -25.49 61.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -73.11 -17.27 61.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -89.98 -0.71 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -64.32 -29.86 70.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 m -72.62 -20.6 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.79 -37.3 24.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 108.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -72.98 -45.85 55.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mp -77.2 160.0 76.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.49 12.61 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.542 1.811 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.11 -41.68 38.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' SER . 80.3 m -135.08 -76.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.406 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' THR . 4.0 t 35.77 60.37 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -86.28 -48.13 8.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.32 -162.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.2 mt -67.7 104.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.0 m -89.96 -1.27 57.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.282 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.22 -26.38 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.8 m -88.21 -15.92 34.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -90.01 -33.2 16.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 t -100.05 -31.5 11.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.15 34.78 5.26 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -89.93 172.67 8.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.2 pt -123.91 151.81 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.6 mt -99.92 147.85 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 7.6 pt -100.01 146.03 31.22 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.95 57.73 4.63 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.56 46.73 12.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -156.93 -93.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -140.02 158.19 44.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.13 145.33 81.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.257 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -174.16 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.9 51.59 4.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.0 -60.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -120.78 -49.82 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 50.42 54.41 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.7 m -139.98 142.92 36.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 m -115.96 144.39 44.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 108.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.97 160.9 49.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.84 9.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -145.1 163.49 34.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -29.82 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.54 -37.64 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -29.49 69.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -65.39 -27.51 68.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 t -75.78 -32.49 59.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.949 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -76.23 -14.09 60.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -89.14 4.56 48.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -74.24 -20.31 60.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.6 m -62.37 -30.76 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 m -76.0 -37.26 58.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -31.87 69.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 5.5 mp -75.81 148.57 82.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 18' ' ' LEU . 18.3 Cg_endo -74.98 84.76 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.09 -66.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 m 64.7 136.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -63.96 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -90.0 -75.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.21 -70.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.3 mt -90.0 62.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' HB ' ' A' ' 30' ' ' THR . 1.0 OUTLIER -60.66 -28.9 68.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.69 -33.54 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.0 m -89.97 -37.48 14.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -90.04 32.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 26' ' ' CYS . 6.3 t -140.01 18.07 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.369 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.8 -41.19 2.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.99 162.01 3.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.8 pt -139.38 -179.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -99.98 126.82 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 6.4 pt -100.04 138.7 20.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.96 69.34 5.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 68.57 91.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . 34.66 60.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -140.01 65.01 1.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.0 m -71.76 142.31 85.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 171.96 17.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.31 -21.4 70.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.51 -43.13 81.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.584 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 3.1 m-85 -89.9 -48.88 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 44' ' ' TYR . . . 75.89 -63.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.4 m -140.01 141.03 36.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.442 ' SG ' HG21 ' A' ' 35' ' ' ILE . 1.7 m -102.19 113.81 27.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.352 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.6 m -126.29 151.21 71.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.76 10.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 7' ' ' ILE . 24.9 m -100.02 -43.16 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 6' ' ' SER . 1.0 OUTLIER 83.49 -14.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.1 t -86.22 -22.86 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.11 -15.22 63.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -55.07 -32.45 61.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.6 p -58.43 -34.91 71.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -81.59 -35.51 30.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -69.45 -23.72 63.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.44 -24.86 68.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.0 t -66.65 -32.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.5 m -78.12 -36.95 47.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 108.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -66.42 -37.66 85.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.81 161.23 69.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.75 12.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.55 -59.48 3.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 22' ' ' SER . 80.6 p -131.41 -77.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.421 ' N ' ' OG1' ' A' ' 21' ' ' THR . 4.9 p 59.89 23.3 12.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -90.01 -55.79 3.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.77 167.65 13.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.1 mt -88.11 123.19 40.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.1 m -86.68 -29.29 22.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.153 . . . . 0.0 108.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.12 -28.12 24.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.34 -45.71 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -65.08 -25.75 67.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.6 p -100.04 -22.66 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.55 13.72 82.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 m -89.99 -174.74 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.2 163.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.2 mt -99.98 135.56 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.442 HG21 ' SG ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -126.17 162.14 47.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -53.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.69 129.07 1.04 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 48.95 37.94 11.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.9 m -140.02 75.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -92.83 119.67 67.68 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.54 8.46 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.75 55.52 4.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.07 -56.22 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 31.7 m-85 -138.83 -51.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 44' ' ' TYR . . . 75.42 -64.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.9 m120 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 m -140.03 141.31 36.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.07 112.34 15.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 108.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.8 m -100.05 152.32 37.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.241 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.54 1.811 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 p -99.97 160.02 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 pt -87.54 -7.81 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.74 -40.22 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.93 -27.66 69.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -62.96 -29.96 71.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 t -67.85 -40.91 83.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.049 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -67.97 -32.11 72.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -90.0 40.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -90.05 -43.48 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.612 ' O ' HD12 ' A' ' 18' ' ' LEU . 94.3 t -71.12 -27.89 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.97 7.98 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.345 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -90.0 -55.51 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.942 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -55.78 160.94 3.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.487 ' N ' HD22 ' A' ' 18' ' ' LEU . 18.2 Cg_endo -75.01 83.78 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.79 -51.57 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m 61.19 99.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 t -53.92 -63.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -90.03 -89.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.94 -94.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.9 mm -90.07 85.99 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.6 m -85.76 -13.53 47.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 108.346 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 -44.75 63.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.333 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 p -71.84 -37.04 70.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.05 -23.48 67.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.0 p -99.98 6.2 45.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.73 20.02 65.78 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 62.0 m -90.04 171.54 9.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 pt -99.96 162.74 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.2 mt -99.98 140.4 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 2.2 pp -138.89 141.87 31.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.0 -168.3 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.527 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -38.36 96.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.527 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . 30.66 71.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.7 m -139.92 79.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.2 m -102.57 153.39 38.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.318 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.31 12.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.41 -16.37 29.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.33 -27.37 52.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -114.39 12.8 17.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.27 72.99 9.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.6 m -108.21 136.2 48.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.07 140.48 48.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 108.312 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 87.4 m -122.16 152.48 60.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -59.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -99.97 161.07 13.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.99 -29.35 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.38 -43.48 97.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.62 79.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -68.77 -43.35 75.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.2 t -59.35 -34.01 71.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -76.68 -42.66 40.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -62.93 -30.41 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -58.79 -32.98 69.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.9 t -70.03 -27.92 34.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.0 t -77.38 -21.72 52.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 108.32 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -89.55 -31.54 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.99 164.08 59.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.21 13.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.38 -39.88 93.41 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -134.64 -78.09 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 110.38 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 t 41.35 66.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -88.25 -56.01 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.7 -157.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.8 mt -78.9 94.06 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.97 -7.21 54.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.16 -41.48 17.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 m -89.96 -28.26 19.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.96 25.79 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 t -139.95 17.13 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.59 -41.24 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.6 m -60.4 178.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 pt -133.94 174.55 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.98 122.1 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 pt -139.25 151.99 68.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.38 145.47 26.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 54.13 35.35 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.354 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.8 m -139.99 67.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.03 131.03 22.2 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.96 41.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.432 1.754 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.55 -18.52 75.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 44' ' ' TYR . 52.1 p-10 -55.9 -33.01 64.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.49 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 16.4 m-30 -110.15 -51.74 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 51.47 46.3 26.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 77.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.4 m -139.98 130.99 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -100.0 133.41 44.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.268 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.0 m -140.03 157.07 70.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -23.11 14.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 p -157.34 -171.46 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.59 -3.28 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.45 -40.26 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.58 -29.65 69.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -73.22 -19.36 61.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.365 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -77.27 -25.99 52.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -77.02 -14.91 59.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -71.04 -12.27 61.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -68.68 -18.28 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.4 -13.07 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.37 -26.65 55.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.57 -24.74 53.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.99 168.25 4.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.66 21.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.86 -30.0 36.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m 53.14 40.09 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 23' ' ' GLU . 6.9 p 46.09 -143.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 48.3 mm-40 -89.94 45.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 75.54 -66.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -90.01 79.58 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.464 ' O ' ' HB ' ' A' ' 30' ' ' THR . 30.4 p -64.42 -42.36 96.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.65 -33.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.5 m -89.99 -44.25 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.435 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -90.01 46.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 26' ' ' CYS . 15.0 t -140.01 12.2 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.353 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.42 -22.36 10.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.0 m -90.07 -177.71 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.5 pt -133.4 174.8 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -100.01 140.41 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.23 165.59 33.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.544 1.813 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.12 -112.37 0.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.06 5.72 46.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.6 m -100.0 72.81 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.5 m -73.83 152.2 88.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.28 4.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.59 50.75 4.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.04 -54.69 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -125.12 -51.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 54.42 84.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.9 m120 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 2' ' ' THR . 10.2 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.432 ' N ' ' OG1' ' A' ' 1' ' ' THR . 48.1 m -126.13 121.09 31.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.445 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.0 m -100.0 150.06 22.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.336 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.97 140.07 23.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 108.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.13 11.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 p -141.07 137.77 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.6 tt -71.25 -19.75 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.67 -36.83 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.18 -32.47 50.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -59.75 -26.68 65.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -55.22 -30.14 59.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -80.12 -38.14 32.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.65 -21.65 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -61.45 -28.38 69.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.2 t -66.17 -38.36 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.09 -36.63 55.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.2 tpt85 -61.5 -39.73 92.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.65 166.16 38.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 71.84 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.92 -53.77 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m 58.47 74.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -72.18 -78.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.545 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 39.1 mm-40 -90.05 -7.52 53.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 74.37 -66.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mp -90.01 77.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.7 m -89.96 21.94 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.01 -79.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 p -66.38 -20.04 65.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -72.64 -29.92 63.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 111.049 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -100.02 -26.73 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.86 -31.51 2.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.7 m -55.97 162.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.84 151.46 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 mt -99.99 136.99 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.5 pt -127.29 152.43 76.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.63 -148.34 14.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -121.17 17.87 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.2 m -99.97 99.45 10.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 76.1 m -72.41 151.09 91.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 67.74 5.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.1 -139.16 14.47 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -76.82 -72.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 38.23 46.29 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.97 78.2 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.5 m -140.0 112.13 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.4 m -99.99 124.84 45.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.0 161.81 53.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.331 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.14 7.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -151.05 166.87 29.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -27.08 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.81 -28.67 45.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.38 -20.41 63.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -90.0 9.7 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -67.93 -24.58 65.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -77.39 -19.36 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -79.87 -4.64 53.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -70.77 -14.33 62.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.99 -14.73 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.04 -44.57 9.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -65.99 -20.86 66.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.245 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -89.94 163.05 33.69 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 67.33 5.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.67 -62.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m 54.53 54.32 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -74.44 -51.68 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 18.6 mm-40 -84.21 -29.82 26.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 74.41 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 mp -89.98 60.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.1 m -63.52 -35.62 81.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.28 -37.96 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.3 m -89.98 -35.7 15.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -89.98 32.16 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -140.0 17.13 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.89 -39.05 3.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -64.87 -179.14 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.11 176.35 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.7 mt -100.0 115.86 42.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 pt -99.94 156.58 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.04 93.54 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 44.42 48.53 8.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.7 m -133.61 88.32 2.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.384 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 m -70.08 154.83 94.31 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.62 20.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.13 -16.97 53.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -58.26 -44.06 88.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -106.95 -37.41 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 51.17 61.66 3.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.02 156.24 46.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.73 148.38 52.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 160.81 59.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.17 8.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -122.26 147.64 45.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.8 pt -71.61 -24.0 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.81 -38.36 82.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.6 77.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -72.42 -34.61 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 p -70.43 -33.78 71.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -76.2 -30.46 58.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.89 -19.9 66.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.75 -26.08 65.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.32 -32.04 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.6 m -77.93 -33.03 51.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.309 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -69.24 -36.52 77.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.69 162.56 73.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.56 -69.94 0.97 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -102.35 -85.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.804 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 76.33 -56.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -40.02 -62.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.16 138.31 57.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.52 HG22 ' H ' ' A' ' 27' ' ' ALA . 32.7 mt -89.99 119.52 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.3 m -90.0 1.22 56.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -90.08 12.65 17.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.4 p -90.09 -125.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -89.96 40.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 m -109.13 28.62 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.437 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 -55.34 4.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.9 m -70.13 156.52 39.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.6 pt -133.34 -172.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.1 mt -100.01 131.91 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 pt -124.13 152.83 67.79 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.6 38.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.59 72.75 1.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -157.11 -94.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.377 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -140.07 155.63 46.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.9 m -66.65 154.88 90.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.272 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.31 11.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.28 -0.8 89.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.8 -51.09 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -120.04 59.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.06 71.32 9.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' A' ' 2' ' ' THR . 8.8 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.495 ' N ' ' OG1' ' A' ' 1' ' ' THR . 61.0 m -136.72 123.44 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.3 m -100.09 146.1 27.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 0.5 OUTLIER -133.09 140.05 36.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.74 15.68 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 p -147.63 157.79 43.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.954 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.0 tt -75.8 -25.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.29 -41.12 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . . . -68.01 -26.46 65.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -74.45 -29.21 61.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 t -71.21 -15.37 62.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -89.93 -2.78 58.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.86 -3.12 46.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -63.45 -22.08 66.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.23 -26.82 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 -21.68 42.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -87.36 -32.04 19.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.77 172.63 2.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 66.65 5.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.29 32.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.158 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' SER . 6.7 t -159.94 34.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 23' ' ' GLU . 24.7 p 38.36 -131.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 4.2 mp0 -90.05 54.53 2.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 73.37 -69.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.439 HG22 ' HB3' ' A' ' 27' ' ' ALA . 16.4 mm -90.03 100.48 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' THR . 19.9 p -74.31 -13.39 60.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.439 ' HB3' HG22 ' A' ' 25' ' ' ILE . . . -60.6 -39.55 88.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -80.05 -23.98 41.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -86.42 -19.94 28.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.586 HG23 ' H ' ' A' ' 32' ' ' CYS . 11.8 t -104.93 -22.54 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.66 -39.13 2.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.586 ' H ' HG23 ' A' ' 30' ' ' THR . 28.1 m -55.6 161.03 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.4 pt -119.68 145.98 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.3 mt -100.03 129.5 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.62 158.59 72.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -80.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.94 -140.24 10.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.27 66.2 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.5 m -103.5 -4.05 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.7 m -61.91 153.9 70.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 108.337 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.62 12.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.45 -29.68 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -62.44 -25.7 68.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.559 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 3.3 m-85 -72.21 -18.18 61.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 44' ' ' TYR . . . 75.59 -65.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.7 m -99.98 142.04 31.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.7 m -113.26 149.06 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 108.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.01 163.85 41.58 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.21 17.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 m -142.05 143.87 33.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 pt -60.89 -28.73 43.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.08 -50.61 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.27 70.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -70.19 -40.23 74.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 p -72.08 -25.49 61.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -73.11 -17.27 61.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -89.98 -0.71 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -64.32 -29.86 70.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 m -72.62 -20.6 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.79 -37.3 24.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 108.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -72.98 -45.85 55.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mp -77.2 160.0 76.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.49 12.61 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.542 1.811 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.11 -41.68 38.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' SER . 80.3 m -135.08 -76.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.406 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' THR . 4.0 t 35.77 60.37 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -86.28 -48.13 8.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.32 -162.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.2 mt -67.7 104.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.0 m -89.96 -1.27 57.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.282 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.22 -26.38 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.8 m -88.21 -15.92 34.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -90.01 -33.2 16.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 t -100.05 -31.5 11.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.15 34.78 5.26 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -89.93 172.67 8.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.2 pt -123.91 151.81 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.6 mt -99.92 147.85 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 7.6 pt -100.01 146.03 31.22 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.95 57.73 4.63 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.56 46.73 12.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -156.93 -93.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -140.02 158.19 44.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.13 145.33 81.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.257 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -174.16 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.9 51.59 4.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.0 -60.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -120.78 -49.82 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 50.42 54.41 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.7 m -139.98 142.92 36.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 m -115.96 144.39 44.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 108.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.97 160.9 49.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.84 9.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -145.1 163.49 34.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -29.82 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.54 -37.64 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -29.49 69.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -65.39 -27.51 68.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 t -75.78 -32.49 59.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.949 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -76.23 -14.09 60.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -89.14 4.56 48.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -74.24 -20.31 60.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.6 m -62.37 -30.76 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 m -76.0 -37.26 58.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -31.87 69.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 5.5 mp -75.81 148.57 82.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 18' ' ' LEU . 18.3 Cg_endo -74.98 84.76 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.09 -66.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 m 64.7 136.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -63.96 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -90.0 -75.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.21 -70.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.3 mt -90.0 62.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' HB ' ' A' ' 30' ' ' THR . 1.0 OUTLIER -60.66 -28.9 68.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.69 -33.54 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.0 m -89.97 -37.48 14.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -90.04 32.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 26' ' ' CYS . 6.3 t -140.01 18.07 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.369 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.8 -41.19 2.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.99 162.01 3.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.8 pt -139.38 -179.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -99.98 126.82 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 6.4 pt -100.04 138.7 20.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.96 69.34 5.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 68.57 91.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . 34.66 60.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -140.01 65.01 1.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.0 m -71.76 142.31 85.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 171.96 17.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.31 -21.4 70.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.51 -43.13 81.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.584 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 3.1 m-85 -89.9 -48.88 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 44' ' ' TYR . . . 75.89 -63.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.4 m -140.01 141.03 36.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.442 ' SG ' HG21 ' A' ' 35' ' ' ILE . 1.7 m -102.19 113.81 27.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.352 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.6 m -126.29 151.21 71.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.76 10.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 7' ' ' ILE . 24.9 m -100.02 -43.16 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 6' ' ' SER . 1.0 OUTLIER 83.49 -14.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.1 t -86.22 -22.86 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.11 -15.22 63.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -55.07 -32.45 61.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.6 p -58.43 -34.91 71.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -81.59 -35.51 30.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -69.45 -23.72 63.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.44 -24.86 68.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.0 t -66.65 -32.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.5 m -78.12 -36.95 47.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 108.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -66.42 -37.66 85.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.81 161.23 69.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.75 12.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.55 -59.48 3.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 22' ' ' SER . 80.6 p -131.41 -77.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.421 ' N ' ' OG1' ' A' ' 21' ' ' THR . 4.9 p 59.89 23.3 12.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -90.01 -55.79 3.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.77 167.65 13.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.1 mt -88.11 123.19 40.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.1 m -86.68 -29.29 22.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.153 . . . . 0.0 108.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.12 -28.12 24.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.34 -45.71 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -65.08 -25.75 67.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.6 p -100.04 -22.66 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.55 13.72 82.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 m -89.99 -174.74 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.2 163.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.2 mt -99.98 135.56 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.442 HG21 ' SG ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -126.17 162.14 47.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -53.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.69 129.07 1.04 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 48.95 37.94 11.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.9 m -140.02 75.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -92.83 119.67 67.68 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.54 8.46 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.75 55.52 4.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.07 -56.22 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 31.7 m-85 -138.83 -51.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 44' ' ' TYR . . . 75.42 -64.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.9 m120 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 m -140.03 141.31 36.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.07 112.34 15.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 108.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.8 m -100.05 152.32 37.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.241 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.54 1.811 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 p -99.97 160.02 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 pt -87.54 -7.81 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.74 -40.22 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.93 -27.66 69.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -62.96 -29.96 71.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 t -67.85 -40.91 83.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.049 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -67.97 -32.11 72.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -90.0 40.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -90.05 -43.48 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.612 ' O ' HD12 ' A' ' 18' ' ' LEU . 94.3 t -71.12 -27.89 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.97 7.98 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.345 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -90.0 -55.51 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.942 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -55.78 160.94 3.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.487 ' N ' HD22 ' A' ' 18' ' ' LEU . 18.2 Cg_endo -75.01 83.78 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.79 -51.57 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m 61.19 99.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 t -53.92 -63.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -90.03 -89.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.94 -94.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.9 mm -90.07 85.99 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.6 m -85.76 -13.53 47.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 108.346 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 -44.75 63.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.333 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 p -71.84 -37.04 70.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.05 -23.48 67.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.0 p -99.98 6.2 45.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.73 20.02 65.78 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 62.0 m -90.04 171.54 9.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 pt -99.96 162.74 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.2 mt -99.98 140.4 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 2.2 pp -138.89 141.87 31.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.0 -168.3 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.527 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -38.36 96.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.527 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . 30.66 71.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.7 m -139.92 79.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.2 m -102.57 153.39 38.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.318 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.31 12.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.41 -16.37 29.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.33 -27.37 52.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -114.39 12.8 17.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.27 72.99 9.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.6 m -108.21 136.2 48.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.07 140.48 48.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 108.312 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 87.4 m -122.16 152.48 60.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -59.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -99.97 161.07 13.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.99 -29.35 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.38 -43.48 97.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.62 79.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -68.77 -43.35 75.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.2 t -59.35 -34.01 71.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -76.68 -42.66 40.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -62.93 -30.41 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -58.79 -32.98 69.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.9 t -70.03 -27.92 34.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.0 t -77.38 -21.72 52.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 108.32 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -89.55 -31.54 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.99 164.08 59.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.21 13.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.38 -39.88 93.41 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -134.64 -78.09 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 110.38 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 t 41.35 66.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -88.25 -56.01 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.7 -157.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.8 mt -78.9 94.06 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.97 -7.21 54.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.16 -41.48 17.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 m -89.96 -28.26 19.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.96 25.79 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 t -139.95 17.13 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.59 -41.24 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.6 m -60.4 178.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 pt -133.94 174.55 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.98 122.1 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 pt -139.25 151.99 68.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.38 145.47 26.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 54.13 35.35 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.354 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.8 m -139.99 67.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.03 131.03 22.2 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.96 41.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.432 1.754 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.55 -18.52 75.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 44' ' ' TYR . 52.1 p-10 -55.9 -33.01 64.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.49 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 16.4 m-30 -110.15 -51.74 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 51.47 46.3 26.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 77.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.4 m -139.98 130.99 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -100.0 133.41 44.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.268 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.0 m -140.03 157.07 70.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -23.11 14.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 p -157.34 -171.46 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.59 -3.28 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.45 -40.26 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.58 -29.65 69.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -73.22 -19.36 61.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.365 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -77.27 -25.99 52.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -77.02 -14.91 59.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -71.04 -12.27 61.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -68.68 -18.28 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.4 -13.07 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.37 -26.65 55.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.57 -24.74 53.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.99 168.25 4.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.66 21.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.86 -30.0 36.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m 53.14 40.09 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 23' ' ' GLU . 6.9 p 46.09 -143.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 48.3 mm-40 -89.94 45.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 75.54 -66.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -90.01 79.58 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.464 ' O ' ' HB ' ' A' ' 30' ' ' THR . 30.4 p -64.42 -42.36 96.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.65 -33.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.5 m -89.99 -44.25 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.435 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -90.01 46.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 26' ' ' CYS . 15.0 t -140.01 12.2 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.353 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.42 -22.36 10.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.0 m -90.07 -177.71 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.5 pt -133.4 174.8 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -100.01 140.41 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.23 165.59 33.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.544 1.813 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.12 -112.37 0.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.06 5.72 46.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.6 m -100.0 72.81 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.5 m -73.83 152.2 88.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.28 4.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.59 50.75 4.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.04 -54.69 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -125.12 -51.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 54.42 84.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.9 m120 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 2' ' ' THR . 10.2 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.432 ' N ' ' OG1' ' A' ' 1' ' ' THR . 48.1 m -126.13 121.09 31.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.445 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.0 m -100.0 150.06 22.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.336 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.97 140.07 23.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 108.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.13 11.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 p -141.07 137.77 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.6 tt -71.25 -19.75 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.67 -36.83 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.18 -32.47 50.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -59.75 -26.68 65.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -55.22 -30.14 59.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -80.12 -38.14 32.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.65 -21.65 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -61.45 -28.38 69.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.2 t -66.17 -38.36 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.09 -36.63 55.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.2 tpt85 -61.5 -39.73 92.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.65 166.16 38.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 71.84 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.92 -53.77 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m 58.47 74.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -72.18 -78.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.545 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 39.1 mm-40 -90.05 -7.52 53.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 23' ' ' GLU . . . 74.37 -66.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mp -90.01 77.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.7 m -89.96 21.94 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.01 -79.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 p -66.38 -20.04 65.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -72.64 -29.92 63.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 111.049 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -100.02 -26.73 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.86 -31.51 2.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.7 m -55.97 162.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.84 151.46 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 mt -99.99 136.99 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.5 pt -127.29 152.43 76.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.63 -148.34 14.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -121.17 17.87 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.2 m -99.97 99.45 10.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 76.1 m -72.41 151.09 91.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 67.74 5.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.1 -139.16 14.47 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -76.82 -72.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 38.23 46.29 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.97 78.2 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.944 . . . . . . . . 0 0 . 1 stop_ save_